diff --git a/gaussianparser/parser_gaussian.py b/gaussianparser/parser_gaussian.py
index 16c83930641d00e0225a8e91154d5967511e43e5..e1c6362b21f01b49eb16aae259e67e31ce2b321e 100644
--- a/gaussianparser/parser_gaussian.py
+++ b/gaussianparser/parser_gaussian.py
@@ -394,10 +394,6 @@ mainFileDescription = SM(
       ])
     ])
 
-import nomad_meta_info
-metaInfoPath = os.path.normpath(os.path.join(os.path.dirname(os.path.abspath(nomad_meta_info.__file__)), "gaussian.nomadmetainfo.json"))
-metaInfoEnv, warnings = loadJsonFile(filePath = metaInfoPath, dependencyLoader = None, extraArgsHandling = InfoKindEl.ADD_EXTRA_ARGS, uri = None)
-
 parserInfo = {
   "name": "parser_gaussian",
   "version": "1.0"
@@ -1544,11 +1540,11 @@ class GaussianParser():
         from unittest.mock import patch
         logging.info('gaussian parser started')
         logging.getLogger('nomadcore').setLevel(logging.WARNING)
-        backend = self.backend_factory(metaInfoEnv)
+        backend = self.backend_factory("gaussian.nomadmetainfo.json")
         with patch.object(sys, 'argv', ['<exe>', '--uri', 'nmd://uri', mainfile]):
             mainFunction(
                 mainFileDescription,
-                metaInfoEnv,
+                None,
                 parserInfo,
                 cachingLevelForMetaName = cachingLevelForMetaName,
                 superContext=GaussianParserContext(),
@@ -1557,6 +1553,11 @@ class GaussianParser():
         return backend
 
 if __name__ == "__main__":
-    mainFunction(mainFileDescription, metaInfoEnv, parserInfo,
-                 cachingLevelForMetaName = cachingLevelForMetaName,
-                 superContext = GaussianParserContext())
+   import metainfo
+   metaInfoPath = os.path.normpath(os.path.join(os.path.dirname(os.path.abspath(nomad_meta_info.__file__)), "gaussian.nomadmetainfo.json"))
+   metaInfoEnv, warnings = loadJsonFile(filePath = metaInfoPath, dependencyLoader = None, extraArgsHandling = InfoKindEl.ADD_EXTRA_ARGS, uri = None)
+
+   mainFunction(
+      mainFileDescription, metaInfoEnv, parserInfo,
+      cachingLevelForMetaName = cachingLevelForMetaName,
+      superContext = GaussianParserContext())
diff --git a/toDelete/parser/parser-gaussian/parser_gaussian.py b/toDelete/parser/parser-gaussian/parser_gaussian.py
deleted file mode 100644
index 5d236fd16a58a2b26bc7eeaa1afa34bcfde6e8d7..0000000000000000000000000000000000000000
--- a/toDelete/parser/parser-gaussian/parser_gaussian.py
+++ /dev/null
@@ -1,1546 +0,0 @@
-# Copyright 2015-2018 Rosendo Valero, Fawzi Mohamed, Ankit Kariryaa
-#
-#   Licensed under the Apache License, Version 2.0 (the "License");
-#   you may not use this file except in compliance with the License.
-#   You may obtain a copy of the License at
-#
-#     http://www.apache.org/licenses/LICENSE-2.0
-#
-#   Unless required by applicable law or agreed to in writing, software
-#   distributed under the License is distributed on an "AS IS" BASIS,
-#   WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
-#   See the License for the specific language governing permissions and
-#   limitations under the License.
-
-from __future__ import division
-from builtins import str
-from builtins import range
-from builtins import object
-from functools import reduce
-import setup_paths
-from nomadcore.simple_parser import mainFunction, SimpleMatcher as SM
-from nomadcore.local_meta_info import loadJsonFile, InfoKindEl
-from nomadcore.caching_backend import CachingLevel
-from nomadcore.unit_conversion.unit_conversion import convert_unit
-import os, sys, json, logging
-import numpy as np
-import ase
-import re
-
-############################################################
-# This is the parser for the output file of Gaussian.
-############################################################
-
-logger = logging.getLogger("nomad.GaussianParser")
-
-# description of the output
-mainFileDescription = SM(
-    name = 'root',
-    weak = True,
-    forwardMatch = True,
-    startReStr = "",
-    subMatchers = [
-        SM(name = 'newRun',
-           startReStr = r"\s*Cite this work as:",
-           repeats = True,
-           required = True,
-           forwardMatch = True,
-           fixedStartValues={ 'program_name': 'Gaussian', 'program_basis_set_type': 'gaussians' },
-           sections   = ['section_run'],
-           subMatchers = [
-               SM(name = 'header',
-                  startReStr = r"\s*Cite this work as:",
-                  forwardMatch = True,
-                  subMatchers = [
-                      SM(r"\s*Cite this work as:"),
-                      SM(r"\s*Gaussian [0-9]+, Revision [A-Za-z0-9.]*,"),
-                      SM(r"\s\*\*\*\*\*\*\*\*\*\*\*\**"),
-                      SM(r"\s*Gaussian\s*(?P<program_version>[0-9]+):\s*(?P<x_gaussian_program_implementation>[A-Za-z0-9-.]+)\s*(?P<x_gaussian_program_release_date>[0-9][0-9]?\-[A-Z][a-z][a-z]\-[0-9]+)"),
-                      SM(r"\s*(?P<x_gaussian_program_execution_date>[0-9][0-9]?\-[A-Z][a-z][a-z]\-[0-9]+)"),
-                      ]
-             ),
-               SM(name = 'globalparams',
-                  startReStr = r"\s*%\w*=",
-                  subFlags = SM.SubFlags.Unordered,
-                  forwardMatch = True,
-                  subMatchers = [
-                      SM(r"\s*%[Cc]hk=(?P<x_gaussian_chk_file>[A-Za-z0-9.]*)"),
-                      SM(r"\s*%[Mm]em=(?P<x_gaussian_memory>[A-Za-z0-9.]*)"),
-                      SM(r"\s*%[Nn][Pp]roc=(?P<x_gaussian_number_of_processors>[A-Za-z0-9.]*)")
-                      ]
-             ),
-               SM (name = 'SectionMethod',
-               sections = ['section_method'],
-                   startReStr = r"\s*#",
-                   forwardMatch = True,
-                   subMatchers = [
-                       SM(r"\s*(?P<x_gaussian_settings>([a-zA-Z0-9-/=(),#*+:]*\s*)+)"),
-                       SM(r"\s*(?P<x_gaussian_settings>([a-zA-Z0-9-/=(),#*+:]*\s*)+)"),
-                       ]
-             ),
-               SM(name = 'charge_multiplicity_cell_masses',
-               sections = ['section_system'],
-		  startReStr = r"\s*Charge =",
-                  endReStr = r"\s*Leave Link  101\s*",
-                  subFlags = SM.SubFlags.Unordered,
-                  forwardMatch = True,
-                  subMatchers = [
-                      SM(r"\s*Charge =\s*(?P<x_gaussian_total_charge>[-+0-9]*) Multiplicity =\s*(?P<x_gaussian_spin_target_multiplicity>[0-9]*)"),
-                      SM(r"\s*(Tv|Tv\s*[0]|TV|TV\s*[0])\s*(?P<x_gaussian_geometry_lattice_vector_x>[0-9.]+)\s+(?P<x_gaussian_geometry_lattice_vector_y>[0-9.]+)\s+(?P<x_gaussian_geometry_lattice_vector_z>[0-9.]+)", repeats = True),
-                      SM(r"\s*AtmWgt=\s+(?P<x_gaussian_atomic_masses>[0-9.]+(\s+[0-9.]+)(\s+[0-9.]+)?(\s+[0-9.]+)?(\s+[0-9.]+)?(\s+[0-9.]+)?(\s+[0-9.]+)?(\s+[0-9.]+)?(\s+[0-9.]+)?(\s+[0-9.]+)?)", repeats = True)
-                      ]
-             ),
-            SM (name = 'SingleConfigurationCalculationWithSystemDescription',
-                startReStr = "\s*Standard orientation:",
-                repeats = False,
-                forwardMatch = True,
-                subMatchers = [
-                SM (name = 'SingleConfigurationCalculation',
-                  startReStr = "\s*Standard orientation:",
-                  repeats = True,
-                  forwardMatch = True,
-                  sections = ['section_single_configuration_calculation'],
-                  subMatchers = [
-                  SM(name = 'geometry',
-                   sections  = ['x_gaussian_section_geometry'],
-                   startReStr = r"\s*Standard orientation:",
-                   endReStr = r"\s*Rotational constants",
-                      subMatchers = [
-                      SM(r"\s+[0-9]+\s+(?P<x_gaussian_atomic_number>[0-9]+)\s+[0-9]*\s+(?P<x_gaussian_atom_x_coord__angstrom>[-+0-9EeDd.]+)\s+(?P<x_gaussian_atom_y_coord__angstrom>[-+0-9EeDd.]+)\s+(?P<x_gaussian_atom_z_coord__angstrom>[-+0-9EeDd.]+)",repeats = True),
-                      SM(r"\s*Rotational constants")
-                    ]
-                ),
-                    SM(name = 'SectionHybridCoeffs',
-                    sections = ['x_gaussian_section_hybrid_coeffs'],
-                    startReStr = r"\s*IExCor=",
-                    forwardMatch = True,
-                    subMatchers = [
-                     SM(r"\s*IExCor=\s*[0-9-]+\s*DFT=[A-Z]\s*Ex\+Corr=[a-zA-Z0-9]+\s*ExCW=[0-9]\s*ScaHFX=\s*(?P<hybrid_xc_coeff1>[0-9.]+)"),
-                     SM(r"\s*IExCor=\s*[0-9-]+\s*DFT=[A-Z]\s*Ex\=[a-zA-Z0-9+]+\s*Corr=[ a-zA-Z0-9]+\s*?ExCW=[0-9]\s*ScaHFX=\s*(?P<hybrid_xc_coeff1>[0-9.]+)"),
-                     SM(r"\s*IExCor=\s*[0-9-]+\s*DFT=[A-Z]\s*Ex\=[a-zA-Z0-9+]+\s*Corr=[ a-zA-Z0-9]+\s*ScaHFX=\s*(?P<hybrid_xc_coeff1>[0-9.]+)"),
-                     SM(r"\s*ScaDFX=\s*(?P<hybrid_xc_coeff2>[0-9.]+\s*[0-9.]+\s*[0-9.]+\s*[0-9.]+)")
-                    ]
-                ),
-                    SM(name = 'TotalEnergyScfGaussian',
-                    sections  = ['section_scf_iteration'],
-                    startReStr = r"\s*Requested convergence on RMS",
-                    forwardMatch = False,
-                    repeats = True,
-                    subMatchers = [
-                     SM(r"\s*Cycle\s+[0-9]+|\s*Initial guess <Sx>="),
-                     SM(r"\s*E=\s*(?P<energy_total_scf_iteration__hartree>[-+0-9.]+)\s*Delta-E=\s*(?P<x_gaussian_delta_energy_total_scf_iteration__hartree>[-+0-9.]+)"),
-                     SM(r"\s*(?P<x_gaussian_single_configuration_calculation_converged>SCF Done):\s*E\((?P<x_gaussian_hf_detect>[A-Z0-9]+)\)\s*=\s*(?P<x_gaussian_energy_scf__hartree>[-+0-9.]+)"),
-                     SM(r"\s*NFock=\s*[0-9]+\s*Conv=(?P<x_gaussian_energy_error__hartree>[-+0-9EeDd.]+)\s*"),
-                     SM(r"\s*KE=\s*(?P<x_gaussian_electronic_kinetic_energy__hartree>[-+0-9EeDd.]+)\s*"),
-                     SM(r"\s*Annihilation of the first spin contaminant"),
-                     SM(r"\s*[A-Z][*][*][0-9]\s*before annihilation\s*(?P<spin_S2>[0-9.]+),\s*after\s*(?P<x_gaussian_after_annihilation_spin_S2>[0-9.]+)"),
-                     SM(r"\s*[()A-Z0-9]+\s*=\s*[-+0-9D.]+\s*[()A-Z0-9]+\s*=\s*(?P<x_gaussian_perturbation_energy__hartree>[-+0-9D.]+)"),
-                    ]
-                ),
-                    SM(name = 'PerturbationEnergies',
-                    sections = ['x_gaussian_section_moller_plesset'],
-                    startReStr = r"\s*E2 =\s*",
-                    forwardMatch = True,
-                    subMatchers = [
-                     SM(r"\s*E2 =\s*(?P<x_gaussian_mp2_correction_energy__hartree>[-+0-9EeDd.]+)\s*EUMP2 =\s*(?P<energy_total__hartree>[-+0-9EeDd.]+)"),
-                     SM(r"\s*E3=\s*(?P<x_gaussian_mp3_correction_energy__hartree>[-+0-9EeDd.]+)\s*EUMP3=\s*(?P<energy_total__hartree>[-+0-9EeDd.]+)\s*"),
-                     SM(r"\s*E4\(DQ\)=\s*(?P<x_gaussian_mp4dq_correction_energy__hartree>[-+0-9EeDd.]+)\s*UMP4\(DQ\)=\s*(?P<energy_total__hartree>[-+0-9EeDd.]+)\s*"),
-                     SM(r"\s*E4\(SDQ\)=\s*(?P<x_gaussian_mp4sdq_correction_energy__hartree>[-+0-9EeDd.]+)\s*UMP4\(SDQ\)=\s*(?P<energy_total__hartree>[-+0-9EeDd.]+)"),
-                     SM(r"\s*E4\(SDTQ\)=\s*(?P<x_gaussian_mp4sdtq_correction_energy__hartree>[-+0-9EeDd.]+)\s*UMP4\(SDTQ\)=\s*(?P<energy_total__hartree>[-+0-9EeDd.]+)"),
-                     SM(r"\s*DEMP5 =\s*(?P<x_gaussian_mp5_correction_energy__hartree>[-+0-9EeDd.]+)\s*MP5 =\s*(?P<energy_total__hartree>[-+0-9EeDd.]+)"),
-                     ]
-                ),
-                    SM(name = 'CoupledClusterEnergies',
-                    sections = ['x_gaussian_section_coupled_cluster'],
-                    startReStr = r"\s*CCSD\(T\)\s*",
-                    endReStr = r"\s*Population analysis using the SCF density",
-                    forwardMatch = True,
-                    subMatchers = [
-                     SM(r"\s*DE\(Corr\)=\s*(?P<x_gaussian_ccsd_correction_energy__hartree>[-+0-9EeDd.]+)\s*E\(CORR\)=\s*(?P<energy_total__hartree>[-+0-9EeDd.]+)", repeats = True),
-                     SM(r"\s*CCSD\(T\)=\s*(?P<energy_total__hartree>[-+0-9EeDd.]+)"),
-                     ]
-                ),
-                    SM(name = 'QuadraticCIEnergies',
-                    sections = ['x_gaussian_section_quadratic_ci'],
-                    startReStr = r"\s*Quadratic Configuration Interaction\s*",
-                    endReStr = r"\s*Population analysis using the SCF density",
-                    forwardMatch = True,
-                    subMatchers = [
-                     SM(r"\s*DE\(Z\)=\s*(?P<x_gaussian_qcisd_correction_energy__hartree>[-+0-9EeDd.]+)\s*E\(Z\)=\s*(?P<energy_total__hartree>[-+0-9EeDd.]+)", repeats = True),
-                     SM(r"\s*DE\(Corr\)=\s*(?P<x_gaussian_qcisd_correction_energy__hartree>[-+0-9EeDd.]+)\s*E\(CORR\)=\s*(?P<energy_total__hartree>[-+0-9EeDd.]+)", repeats = True),
-                     SM(r"\s*QCISD\(T\)=\s*(?P<energy_total__hartree>[-+0-9EeDd.]+)"),
-                     SM(r"\s*DE5\s*=\s*(?P<x_gaussian_qcisdtq_correction_energy__hartree>[-+0-9EeDd.]+)\s*QCISD\(TQ\)\s*=\s*(?P<energy_total__hartree>[-+0-9EeDd.]+)", repeats = True),
-                     ]
-                ),
-                    SM(name = 'CIEnergies',
-                    sections = ['x_gaussian_section_ci'],
-                    startReStr = r"\s*Configuration Interaction\s*",
-                    endReStr = r"\s*Population analysis using the SCF density",
-                    forwardMatch = True,
-                    subMatchers = [
-                     SM(r"\s*DE\(CI\)=\s*(?P<x_gaussian_ci_correction_energy__hartree>[-+0-9EeDd.]+)\s*E\(CI\)=\s*(?P<energy_total__hartree>[-+0-9EeDd.]+)", repeats = True),
-                     ]
-                ),
-                    SM(name = 'SemiempiricalEnergies',
-                    sections = ['x_gaussian_section_semiempirical'],
-                    startReStr = r"\s*[-A-Z0-9]+\s*calculation of energy[a-zA-Z,. ]+\s*",
-                    endReStr = r"\s*Population analysis using the SCF density",
-                    forwardMatch = True,
-                    subMatchers = [
-                     SM(r"\s*(?P<x_gaussian_semiempirical_method>[-A-Z0-9]+\s*calculation of energy[a-zA-Z,. ]+)"),
-                     SM(r"\s*It=\s*[0-9]+\s*PL=\s*[-+0-9EeDd.]+\s*DiagD=[A-Z]\s*ESCF=\s*(?P<x_gaussian_semiempirical_energy>[-+0-9.]+)\s*", repeats = True),
-                     SM(r"\s*Energy=\s*(?P<energy_total>[-+0-9EeDd.]+)"),
-                     ]
-                ),
-                    SM(name = 'MolecularMechanicsEnergies',
-                    sections = ['x_gaussian_section_molmech'],
-                    startReStr = r"\s*[-A-Z0-9]+\s*calculation of energy[a-zA-Z,. ]+\s*",
-                    forwardMatch = False,
-                    repeats = True,
-                    subMatchers = [
-                     SM(r"\s*(?P<x_gaussian_molmech_method>[a-zA-Z0-9]+\s*calculation of energy[a-z,. ]+)"),
-                     SM(r"\s*Energy=\s*(?P<energy_total>[-+0-9EeDd.]+)\s*NIter=\s*[0-9.]"),
-                     ]
-                ),
-                  SM(name = 'ExcitedStates',
-                   sections  = ['x_gaussian_section_excited_initial'],
-                   startReStr = r"\s*Excitation energies and oscillator strengths",
-                   forwardMatch = False,
-                   repeats = True,
-                   subMatchers = [
-                    SM(name = 'ExcitedStates',
-                    sections = ['x_gaussian_section_excited'],
-                    startReStr = r"\s*Excited State",
-                    forwardMatch = False,
-                    repeats = True,
-                    subMatchers = [
-                     SM(r"\s*Excited State\s*(?P<x_gaussian_excited_state_number>[0-9]+):\s*[-+0-9A-Za-z.\?]+\s*(?P<x_gaussian_excited_energy__eV>[0-9.]+)\s*eV\s*[0-9.]+\s*nm\s*f=(?P<x_gaussian_excited_oscstrength>[0-9.]+)\s*<[A-Z][*][*][0-9]>=(?P<x_gaussian_excited_spin_squared>[0-9.]+)"),
-                     SM(r"\s*(?P<x_gaussian_excited_transition>[0-9A-Z]+\s*->\s*[0-9A-Z]+\s*[-+0-9.]+)", repeats = True),
-                     SM(r"\s*This state for optimization|\r?\n"),
-                     ]
-                    )
-                   ]
-               ),
-                  SM(name = 'CASSCFStates',
-                   sections = ['x_gaussian_section_casscf'],
-                   startReStr = r"\s*EIGENVALUES AND\s*",
-                   forwardMatch = True,
-                   repeats = False,
-                   subMatchers = [
-                    SM(r"\s*EIGENVALUES AND\s*"),
-                    SM(r"\s*\(\s*[0-9]+\)\s*EIGENVALUE\s*(?P<x_gaussian_casscf_energy__hartree>[-+0-9.]+)", repeats = True),
-                   ]
-               ),
-                  SM(name = 'Geometry_optimization',
-                  sections  = ['x_gaussian_section_geometry_optimization_info'],
-                  startReStr = r"\s*Optimization completed.",
-                  forwardMatch = True,
-                  subMatchers = [
-                  SM(r"\s*(?P<x_gaussian_geometry_optimization_converged>Optimization completed)"),
-                  SM(r"\s*(?P<x_gaussian_geometry_optimization_converged>Optimization stopped)"),
-                  SM(r"\s+[0-9]+\s+[0-9]+\s+[0-9]+\s+[-+0-9EeDd.]+\s+[-+0-9EeDd.]+\s+[-+0-9EeDd.]+",repeats = True),
-                  SM(r"\s*Distance matrix|\s*Rotational constants|\s*Stoichiometry")
-                    ]
-               ),
-                SM(name = 'Orbital symmetries',
-                sections = ['x_gaussian_section_orbital_symmetries'],
-                startReStr = r"\s+Population analysis",
-                subFlags = SM.SubFlags.Sequenced,
-                subMatchers = [
-                      SM(r"\s*Orbital symmetries"),
-                      SM(r"\s*Alpha Orbitals"),
-                      SM(r"\s*Occupied\s+(?P<x_gaussian_alpha_occ_symmetry_values>\((.+)\))?"),
-                      SM(r"\s+(?P<x_gaussian_alpha_occ_symmetry_values>\((.+)\)?)", repeats = True),
-                      SM(r"\s*Virtual\s+(?P<x_gaussian_alpha_vir_symmetry_values>\((.+)\))?"),
-                      SM(r"\s+(?P<x_gaussian_alpha_vir_symmetry_values>\((.+)\)?)", repeats = True),
-                      SM(r"\s*Beta Orbitals"),
-                      SM(r"\s*Occupied\s+(?P<x_gaussian_beta_occ_symmetry_values>\((.+)\))?"),
-                      SM(r"\s+(?P<x_gaussian_beta_occ_symmetry_values>\((.+)\)?)", repeats = True),
-                      SM(r"\s*Virtual\s+(?P<x_gaussian_beta_vir_symmetry_values>\((.+)\))?"),
-                      SM(r"\s+(?P<x_gaussian_beta_vir_symmetry_values>\((.+)\)?)", repeats = True),
-                      ]
-             ),
-                SM(name = 'Electronicstatesymmetry',
-                sections = ['x_gaussian_section_symmetry'],
-                startReStr = r"\s*The electronic state is",
-                forwardMatch = True,
-                subMatchers = [
-                      SM(r"\s*The electronic state is\s*(?P<x_gaussian_elstate_symmetry>[A-Z0-9-']+)[.]")
-                      ]
-             ),
-                SM(name = 'Eigenvalues',
-                sections = ['section_eigenvalues'],
-                startReStr = r"\s*Alpha  occ. eigenvalues --",
-                forwardMatch = True,
-                subFlags = SM.SubFlags.Sequenced,
-                subMatchers = [
-                      SM(r"\s*Alpha  occ. eigenvalues --\s+(?P<x_gaussian_alpha_occ_eigenvalues_values>-?[^\s.-]+\s+|(\-?\d*\.\d*)\s+(\-?\d*\.\d*)?\s+(\-?\d*\.\d*)?\s+(\-?\d*\.\d*)?\s+(\-?\d*\.\d*)?)", repeats = True),
-                      SM(r"\s*Alpha virt. eigenvalues --\s+(?P<x_gaussian_alpha_vir_eigenvalues_values>-?[^\s.-]+\s+|(\-?\d*\.\d*)\s+(\-?\d*\.\d*)?\s+(\-?\d*\.\d*)?\s+(\-?\d*\.\d*)?\s+(\-?\d*\.\d*)?)", repeats = True),
-                      SM(r"\s*Beta  occ. eigenvalues --\s+(?P<x_gaussian_beta_occ_eigenvalues_values>-?[^\s.-]+\s+|(\-?\d*\.\d*)\s+(\-?\d*\.\d*)?\s+(\-?\d*\.\d*)?\s+(\-?\d*\.\d*)?\s+(\-?\d*\.\d*)?)", repeats = True),
-                      SM(r"\s*Beta virt. eigenvalues --\s+(?P<x_gaussian_beta_vir_eigenvalues_values>-?[^\s.-]+\s+|(\-?\d*\.\d*)\s+(\-?\d*\.\d*)?\s+(\-?\d*\.\d*)?\s+(\-?\d*\.\d*)?\s+(\-?\d*\.\d*)?)", repeats = True),
-                      SM(r"\s*- Condensed to atoms (all electrons)"),
-                      ]
-             ),
-                   SM(name = 'ForcesGaussian',
-                   sections  = ['x_gaussian_section_atom_forces'],
-                   startReStr = "\s*Center\s+Atomic\s+Forces ",
-                   forwardMatch = True,
-                   subMatchers = [
-                    SM(r"\s*Center\s+Atomic\s+Forces "),
-                    SM(r"\s+[0-9]+\s+[0-9]+\s+(?P<x_gaussian_atom_x_force__hartree_bohr_1>[-+0-9EeDd.]+)\s+(?P<x_gaussian_atom_y_force__hartree_bohr_1>[-+0-9EeDd.]+)\s+(?P<x_gaussian_atom_z_force__hartree_bohr_1>[-+0-9EeDd.]+)",repeats = True),
-                    SM(r"\s*Cartesian Forces:\s+")
-                    ]
-                ),
-                SM(name = 'Multipoles',
-                  sections = ['x_gaussian_section_molecular_multipoles'],
-                  startReStr = r"\s*Electronic spatial extent",
-                  forwardMatch = False,
-                  subMatchers = [
-                      SM(r"\s*Charge=(?P<charge>\s*[-0-9.]+)"),
-                      SM(r"\s*Dipole moment "),
-                      SM(r"\s+\w+=\s+(?P<dipole_moment_x>[-+0-9EeDd.]+)\s+\w+=\s+(?P<dipole_moment_y>[-+0-9EeDd.]+)\s+\w+=\s+(?P<dipole_moment_z>[-+0-9EeDd.]+)"),
-                      SM(r"\s*Quadrupole moment"),
-                      SM(r"\s+\w+=\s+(?P<quadrupole_moment_xx>[0-9-.]+)\s+\w+=\s+(?P<quadrupole_moment_yy>[0-9-.]+)\s+\w+=\s+(?P<quadrupole_moment_zz>[0-9-.]+)"),
-                      SM(r"\s+\w+=\s+(?P<quadrupole_moment_xy>[0-9-.]+)\s+\w+=\s+(?P<quadrupole_moment_xz>[0-9-.]+)\s+\w+=\s+(?P<quadrupole_moment_yz>[0-9-.]+)"),
-                      SM(r"\s*Traceless Quadrupole moment"),
-                      SM(r"\s+\w+=\s+[0-9-.]+\s+\w+=\s+[0-9-.]+\s+\w+=\s+[0-9-.]+"),
-                      SM(r"\s+\w+=\s+[0-9-.]+\s+\w+=\s+[0-9-.]+\s+\w+=\s+[0-9-.]+"),
-                      SM(r"\s*Octapole moment"),
-                      SM(r"\s+\w+=\s+(?P<octapole_moment_xxx>[-+0-9EeDd.]+)\s+\w+=\s+(?P<octapole_moment_yyy>[-+0-9EeDd.]+)\s+\w+=\s+(?P<octapole_moment_zzz>[-+0-9EeDd.]+)\s+\w+=\s+(?P<octapole_moment_xyy>[-+0-9EeDd.]+)"),
-                      SM(r"\s+\w+=\s+(?P<octapole_moment_xxy>[-+0-9EeDd.]+)\s+\w+=\s+(?P<octapole_moment_xxz>[-+0-9EeDd.]+)\s+\w+=\s+(?P<octapole_moment_xzz>[-+0-9EeDd.]+)\s+\w+=\s+(?P<octapole_moment_yzz>[-+0-9EeDd.]+)"),
-                      SM(r"\s+\w+=\s+(?P<octapole_moment_yyz>[-+0-9EeDd.]+)\s+\w+=\s+(?P<octapole_moment_xyz>[-+0-9EeDd.]+)"),
-                      SM(r"\s*Hexadecapole moment"),
-                      SM(r"\s+\w+=\s+(?P<hexadecapole_moment_xxxx>[-+0-9EeDd.]+)\s+\w+=\s+(?P<hexadecapole_moment_yyyy>[-+0-9EeDd.]+)\s+\w+=\s+(?P<hexadecapole_moment_zzzz>[-+0-9EeDd.]+)\s+\w+=\s+(?P<hexadecapole_moment_xxxy>[-+0-9EeDd.]+)"),
-                      SM(r"\s+\w+=\s+(?P<hexadecapole_moment_xxxz>[-+0-9EeDd.]+)\s+\w+=\s+(?P<hexadecapole_moment_yyyx>[-+0-9EeDd.]+)\s+\w+=\s+(?P<hexadecapole_moment_yyyz>[-+0-9EeDd.]+)\s+\w+=\s+(?P<hexadecapole_moment_zzzx>[-+0-9EeDd.]+)"),
-                      SM(r"\s+\w+=\s+(?P<hexadecapole_moment_zzzy>[-+0-9EeDd.]+)\s+\w+=\s+(?P<hexadecapole_moment_xxyy>[-+0-9EeDd.]+)\s+\w+=\s+(?P<hexadecapole_moment_xxzz>[-+0-9EeDd.]+)\s+\w+=\s+(?P<hexadecapole_moment_yyzz>[-+0-9EeDd.]+)"),
-                      SM(r"\s+\w+=\s+(?P<hexadecapole_moment_xxyz>[-+0-9EeDd.]+)\s+\w+=\s+(?P<hexadecapole_moment_yyxz>[-+0-9EeDd.]+)\s+\w+=\s+(?P<hexadecapole_moment_zzxy>[-+0-9EeDd.]+)")
-                      ]
-             ),
-                SM (name = 'Frequencies',
-                     sections = ['x_gaussian_section_frequencies'],
-                     startReStr = r"\s*Frequencies --\s+(?:(?:[-]?[0-9]+\.\d*)\s*(?:[-]?[-0-9]+\.\d*)?\s*(?:[-]?[-0-9]+\.\d*)?)",
-                     endReStr = r"\s*- Thermochemistry -",
-                     forwardMatch = True,
-                     repeats = False,
-                     subMatchers = [
-                       SM (name = 'Frequencies',
-                         startReStr = r"\s*Frequencies --\s+(?:(?:[-]?[0-9]+\.\d*)\s*(?:[-]?[-0-9]+\.\d*)?\s*(?:[-]?[-0-9]+\.\d*)?)",
-                         forwardMatch = True,
-                         repeats = True,
-                         subFlags = SM.SubFlags.Unordered,
-                         subMatchers = [
-                           SM(r"\s*Frequencies --\s+(?P<x_gaussian_frequency_values>([-]?[0-9]+\.\d*)\s*([-]?[-0-9]+\.\d*)?\s*([-]?[-0-9]+\.\d*)?)", repeats = True),
-                           SM(r"\s*Red. masses --\s+(?P<x_gaussian_reduced_masses>(.+))", repeats = True),
-                           SM(r"\s*[0-9]+\s*[0-9]+\s*(?P<x_gaussian_normal_modes>([-0-9.]+)\s*([-0-9.]+)\s*([-0-9.]+)\s*([-0-9.]+)\s*([-0-9.]+)\s*([-0-9.]+)\s*([-0-9.]+)\s*([-0-9.]+)\s*([-0-9.]+))", repeats = True),
-                           SM(r"\s*[0-9]+\s*([0-9]+)?\s*([0-9]+)?"),
-                         ])
-                     ]
-                ),
-                SM(name = 'Thermochemistry',
-                sections = ['x_gaussian_section_thermochem'],
-                startReStr = r"\s*Temperature",
-                forwardMatch = True,
-                subMatchers = [
-                      SM(r"\s*Temperature\s*(?P<x_gaussian_temperature>[0-9.]+)\s*Kelvin.\s*Pressure\s*(?P<x_gaussian_pressure__atmosphere>[0-9.]+)\s*Atm."),
-                      SM(r"\s*Principal axes and moments of inertia in atomic units:"),
-                      SM(r"\s*Eigenvalues --\s*(?P<x_gaussian_moment_of_inertia_X__amu_angstrom_angstrom>(\d+\.\d{5}))\s*?(?P<x_gaussian_moment_of_inertia_Y__amu_angstrom_angstrom>(\d+\.\d{5}))\s*?(?P<x_gaussian_moment_of_inertia_Z__amu_angstrom_angstrom>(\d+\.\d{5}))"),
-                      SM(r"\s*Zero-point correction=\s*(?P<x_gaussian_zero_point_energy__hartree>[0-9.]+)"),
-                      SM(r"\s*Thermal correction to Energy=\s*(?P<x_gaussian_thermal_correction_energy__hartree>[0-9.]+)"),
-                      SM(r"\s*Thermal correction to Enthalpy=\s*(?P<x_gaussian_thermal_correction_enthalpy__hartree>[0-9.]+)"),
-                      SM(r"\s*Thermal correction to Gibbs Free Energy=\s*(?P<x_gaussian_thermal_correction_free_energy__hartree>[0-9.]+)"),
-                      ]
-             ),
-                SM(name = 'Forceconstantmatrix',
-                sections = ['x_gaussian_section_force_constant_matrix'],
-                startReStr = r"\s*Force constants in Cartesian coordinates",
-                forwardMatch = True,
-                subMatchers = [
-                      SM(r"\s*Force constants in Cartesian coordinates"),
-                      SM(r"\s*[0-9]+\s*(?P<x_gaussian_force_constants>(-?\d*\.\d*D?\+?\-?\d+)|(\-?\d*\.\d*[-+DE0-9]+)\s*(\-?\d*\.\d*[-+DE0-9]+)?\s*(\-?\d*\.\d*[-+DE0-9]+)?\s*(\-?\d*\.\d*[-+DE0-9]+)?\s*(\-?\d*\.\d*[-+DE0-9]+)?)", repeats = True),
-                      SM(r"\s*Force constants in internal coordinates")
-                      ]
-             ),
-                SM(name = 'CompositeModelEnergies',
-                sections = ['x_gaussian_section_models'],
-                startReStr = r"\s*Temperature=\s*",
-                forwardMatch = False,
-                repeats = True,
-                subMatchers = [
-                 SM(r"\s*G1\(0 K\)=\s*[-+0-9.]+\s*G1 Energy=\s*(?P<energy_total__hartree>[-+0-9.]+)"),
-                 SM(r"\s*G2\(0 K\)=\s*[-+0-9.]+\s*G2 Energy=\s*(?P<energy_total__hartree>[-+0-9.]+)"),
-                 SM(r"\s*G2MP2\(0 K\)=\s*[-+0-9.]+\s*G2MP2 Energy=\s*(?P<energy_total__hartree>[-+0-9.]+)"),
-                 SM(r"\s*G3\(0 K\)=\s*[-+0-9.]+\s*G3 Energy=\s*(?P<energy_total__hartree>[-+0-9.]+)"),
-                 SM(r"\s*G3MP2\(0 K\)=\s*[-+0-9.]+\s*G3MP2 Energy=\s*(?P<energy_total__hartree>[-+0-9.]+)"),
-                 SM(r"\s*G4\(0 K\)=\s*[-+0-9.]+\s*G4 Energy=\s*(?P<energy_total__hartree>[-+0-9.]+)"),
-                 SM(r"\s*G4MP2\(0 K\)=\s*[-+0-9.]+\s*G4MP2 Energy=\s*(?P<energy_total__hartree>[-+0-9.]+)"),
-                 SM(r"\s*CBS-4 \(0 K\)=\s*[-+0-9.]+\s*CBS-4 Energy=\s*(?P<energy_total__hartree>[-+0-9.]+)"),
-                 SM(r"\s*CBS-q \(0 K\)=\s*[-+0-9.]+\s*CBS-q Energy=\s*(?P<energy_total__hartree>[-+0-9.]+)"),
-                 SM(r"\s*CBS-Q \(0 K\)=\s*[-+0-9.]+\s*CBS-Q Energy=\s*(?P<energy_total__hartree>[-+0-9.]+)"),
-                 SM(r"\s*CBS-QB3 \(0 K\)=\s*[-+0-9.]+\s*CBS-QB3 Energy=\s*(?P<energy_total__hartree>[-+0-9.]+)"),
-                 SM(r"\s*W1U  \(0 K\)=\s*[-+0-9.]+\s*W1U   Electronic Energy\s*(?P<energy_total__hartree>[-+0-9.]+)"),
-                 SM(r"\s*W1RO  \(0 K\)=\s*[-+0-9.]+\s*W1RO  Electronic Energy\s*(?P<energy_total__hartree>[-+0-9.]+)"),
-                 SM(r"\s*W1BD  \(0 K\)=\s*[-+0-9.]+\s*W1BD  Electronic Energy\s*(?P<energy_total__hartree>[-+0-9.]+)"),
-                       ]
-             ),
-                SM(name = 'run times',
-                  sections = ['x_gaussian_section_times'],
-                  startReStr = r"\s*Job cpu time:",
-                  forwardMatch = True,
-                  subMatchers = [
-                      SM(r"\s*Job cpu time:\s*(?P<x_gaussian_program_cpu_time>\s*[0-9]+\s*[a-z]+\s*[0-9]+\s*[a-z]+\s*[0-9]+\s*[a-z]+\s*[0-9.]+\s*[a-z]+)"),
-                      SM(r"\s*Normal termination of Gaussian\s*[0-9]+\s* at \s*(?P<x_gaussian_program_termination_date>[A-Za-z]+\s*[A-Za-z]+\s*[0-9]+\s*[0-9:]+\s*[0-9]+)"),
-                      ]
-             )
-          ])
-        ])
-      ])
-    ])
-
-# loading metadata from nomad-meta-info/meta_info/nomad_meta_info/gaussian.nomadmetainfo.json
-metaInfoPath = os.path.normpath(os.path.join(os.path.dirname(os.path.abspath(__file__)),"../../../../nomad-meta-info/meta_info/nomad_meta_info/gaussian.nomadmetainfo.json"))
-metaInfoEnv, warnings = loadJsonFile(filePath = metaInfoPath, dependencyLoader = None, extraArgsHandling = InfoKindEl.ADD_EXTRA_ARGS, uri = None)
-
-parserInfo = {
-  "name": "parser_gaussian",
-  "version": "1.0"
-}
-
-class GaussianParserContext(object):
-      """Context for parsing Gaussian output file.
-
-        This class keeps tracks of several Gaussian settings to adjust the parsing to them.
-        The onClose_ functions allow processing and writing of cached values after a section is closed.
-        They take the following arguments:
-        backend: Class that takes care of writing and caching of metadata.
-        gIndex: Index of the section that is closed.
-        section: The cached values and sections that were found in the section that is closed.
-      """
-      def __init__(self):
-        # dictionary of energy values, which are tracked between SCF iterations and written after convergence
-        self.totalEnergyList = {
-                                'x_gaussian_hf_detect': None,
-                                'x_gaussian_energy_scf': None,
-                                'x_gaussian_perturbation_energy': None,
-                                'x_gaussian_electronic_kinetic_energy': None,
-                                'x_gaussian_energy_electrostatic': None,
-                                'x_gaussian_energy_error': None,
-                               }
-
-      def initialize_values(self):
-        """Initializes the values of certain variables.
-
-        This allows a consistent setting and resetting of the variables,
-        when the parsing starts and when a section_run closes.
-        """
-        self.secMethodIndex = None
-        self.secSystemDescriptionIndex = None
-        # start with -1 since zeroth iteration is the initialization
-        self.scfIterNr = -1
-        self.singleConfCalcs = []
-        self.scfConvergence = False
-        self.geoConvergence = False
-        self.scfenergyconverged = 0.0
-        self.scfkineticenergyconverged = 0.0
-        self.scfelectrostaticenergy = 0.0
-        self.periodicCalc = False
-
-      def startedParsing(self, path, parser):
-        self.parser = parser
-        # save metadata
-        self.metaInfoEnv = self.parser.parserBuilder.metaInfoEnv
-        # allows to reset values if the same superContext is used to parse different files
-        self.initialize_values()
-
-      def onClose_section_run(self, backend, gIndex, section):
-          """Trigger called when section_run is closed.
-
-          Write convergence of geometry optimization.
-          Variables are reset to ensure clean start for new run.
-          """
-          global sampling_method
-          sampling_method = ""
-          # write geometry optimization convergence
-          gIndexTmp = backend.openSection('section_frame_sequence')
-          backend.addValue('geometry_optimization_converged', self.geoConvergence)
-          backend.closeSection('section_frame_sequence', gIndexTmp)
-          # frame sequence
-          if self.geoConvergence:
-              sampling_method = "geometry_optimization"
-          elif len(self.singleConfCalcs) > 1:
-              pass # to do
-          else:
-              return
-          samplingGIndex = backend.openSection("section_sampling_method")
-          backend.addValue("sampling_method", sampling_method)
-          backend.closeSection("section_sampling_method", samplingGIndex)
-          frameSequenceGIndex = backend.openSection("section_frame_sequence")
-          backend.addValue("frame_sequence_to_sampling_ref", samplingGIndex)
-          backend.addArrayValues("frame_sequence_local_frames_ref", np.asarray(self.singleConfCalcs))
-          backend.closeSection("section_frame_sequence", frameSequenceGIndex)
-          # reset all variables
-          self.initialize_values()
-
-      def onClose_x_gaussian_section_geometry(self, backend, gIndex, section):
-        xCoord = section["x_gaussian_atom_x_coord"]
-        yCoord = section["x_gaussian_atom_y_coord"]
-        zCoord = section["x_gaussian_atom_z_coord"]
-        numbers = section["x_gaussian_atomic_number"]
-        atom_coords = np.zeros((len(xCoord),3), dtype=float)
-        atom_numbers = np.zeros(len(xCoord), dtype=int)
-        atomic_symbols = np.empty((len(xCoord)), dtype=object)
-        for i in range(len(xCoord)):
-           atom_coords[i,0] = xCoord[i]
-           atom_coords[i,1] = yCoord[i]
-           atom_coords[i,2] = zCoord[i]
-        for i in range(len(xCoord)):
-          atom_numbers[i] = numbers[i]
-          atomic_symbols[i] = ase.data.chemical_symbols[atom_numbers[i]]
-        gIndexTmp = backend.openSection("section_system")
-        backend.addArrayValues("atom_labels", atomic_symbols)
-        backend.addArrayValues("atom_positions", atom_coords)
-        backend.addValue("x_gaussian_number_of_atoms",len(atomic_symbols))
-        backend.closeSection("section_system", gIndexTmp)
-
-      def onClose_x_gaussian_section_atom_forces(self, backend, gIndex, section):
-        xForce = section["x_gaussian_atom_x_force"]
-        yForce = section["x_gaussian_atom_y_force"]
-        zForce = section["x_gaussian_atom_z_force"]
-        atom_forces = np.zeros((len(xForce),3), dtype=float)
-        for i in range(len(xForce)):
-           atom_forces[i,0] = xForce[i]
-           atom_forces[i,1] = yForce[i]
-           atom_forces[i,2] = zForce[i]
-        backend.addArrayValues("atom_forces_raw", atom_forces)
-
-      def onOpen_section_single_configuration_calculation(self, backend, gIndex, section):
-          self.singleConfCalcs.append(gIndex)
-
-      def onClose_section_single_configuration_calculation(self, backend, gIndex, section):
-        """Trigger called when section_single_configuration_calculation is closed.
-         Write number of SCF iterations and convergence.
-         Check for convergence of geometry optimization.
-        """
-        # write SCF convergence and reset
-        backend.addValue('single_configuration_calculation_converged', self.scfConvergence)
-        self.scfConvergence = False
-        # start with -1 since zeroth iteration is the initialization
-        self.scfIterNr = -1
-        # write the references to section_method and section_system
-        backend.addValue('single_configuration_to_calculation_method_ref', self.secMethodIndex)
-        backend.addValue('single_configuration_calculation_to_system_ref', self.secSystemDescriptionIndex)
-
-      def onClose_x_gaussian_section_geometry_optimization_info(self, backend, gIndex, section):
-        # check for geometry optimization convergence
-        if section['x_gaussian_geometry_optimization_converged'] is not None:
-           if section['x_gaussian_geometry_optimization_converged'] == ['Optimization completed']:
-              self.geoConvergence = True
-           elif section['x_gaussian_geometry_optimization_converged'] == ['Optimization stopped']:
-              self.geoConvergence = False
-
-      def onClose_section_scf_iteration(self, backend, gIndex, section):
-        # count number of SCF iterations
-        self.scfIterNr += 1
-        # check for SCF convergence
-        if section['x_gaussian_single_configuration_calculation_converged'] is not None:
-           self.scfConvergence = True
-           if section['x_gaussian_energy_scf']:
-               self.scfenergyconverged = float(str(section['x_gaussian_energy_scf']).replace("[","").replace("]","").replace("D","E"))
-               self.scfcharacter = section['x_gaussian_hf_detect']
-               if (self.scfcharacter != ['RHF'] and self.scfcharacter != ['ROHF'] and self.scfcharacter != ['UHF']):
-                  self.energytotal = self.scfenergyconverged
-                  backend.addValue('energy_total', self.energytotal)
-               else:
-                  pass
-               if section['x_gaussian_electronic_kinetic_energy']:
-                  self.scfkineticenergyconverged = float(str(section['x_gaussian_electronic_kinetic_energy']).replace("[","").replace("]","").replace("D","E"))
-                  self.scfelectrostaticenergy = self.scfenergyconverged - self.scfkineticenergyconverged
-                  backend.addValue('x_gaussian_energy_electrostatic', self.scfelectrostaticenergy)
-
-      def onClose_section_eigenvalues(self, backend, gIndex, section):
-          eigenenergies = str(section["x_gaussian_alpha_occ_eigenvalues_values"])
-          eigenen1 = []
-          if('*' in eigenenergies):
-             energy = [0.0]
-          else:
-             energy = [float(f) for f in eigenenergies[1:].replace("'","").replace(",","").replace("]","").replace("one","").replace(" ."," 0.").replace(" -."," -0.").replace("\\n","").replace("-"," -").split()]
-          eigenen1 = np.append(eigenen1, energy)
-          if(section["x_gaussian_beta_occ_eigenvalues_values"]):
-             occoccupationsalp = np.ones(len(eigenen1), dtype=float)
-          else:
-             occoccupationsalp = 2.0 * np.ones(len(eigenen1), dtype=float)
-
-          eigenenergies = str(section["x_gaussian_alpha_vir_eigenvalues_values"])
-          eigenen2 = []
-          if('*' in eigenenergies):
-             energy = [0.0]
-          else:
-             energy = [float(f) for f in eigenenergies[1:].replace("'","").replace(",","").replace("]","").replace("one","").replace(" ."," 0.").replace(" -."," -0.").replace("\\n","").replace("-"," -").split()]
-          eigenen2 = np.append(eigenen2, energy)
-          viroccupationsalp = np.zeros(len(eigenen2), dtype=float)
-          leneigenenconalp = len(eigenen1) + len(eigenen2)
-          eigenenconalp = np.concatenate((eigenen1,eigenen2), axis=0)
-          eigenenconalp = convert_unit(eigenenconalp, "hartree", "J")
-          occupconalp = np.concatenate((occoccupationsalp, viroccupationsalp), axis=0)
-          eigenenconalpnew = np.reshape(eigenenconalp,(1, 1, len(eigenenconalp)))
-          occupconalpnew = np.reshape(occupconalp,(1, 1, len(occupconalp)))
-          if(section["x_gaussian_beta_occ_eigenvalues_values"]):
-             pass
-          else:
-             backend.addArrayValues("eigenvalues_values", eigenenconalpnew)
-             backend.addArrayValues("eigenvalues_occupation", occupconalpnew)
-
-          if(section["x_gaussian_beta_occ_eigenvalues_values"]):
-             eigenenergies = str(section["x_gaussian_beta_occ_eigenvalues_values"])
-             eigenen1 = []
-             if('*' in eigenenergies):
-                energy = [0.0]
-             else:
-                energy = [float(f) for f in eigenenergies[1:].replace("'","").replace(",","").replace("]","").replace("one","").replace(" ."," 0.").replace(" -."," -0.").replace("\\n","").replace("-"," -").split()]
-             eigenen1 = np.append(eigenen1, energy)
-             occoccupationsbet = np.ones(len(eigenen1), dtype=float)
-             eigenenergies = str(section["x_gaussian_beta_vir_eigenvalues_values"])
-             eigenen2 = []
-             if('*' in eigenenergies):
-                energy = [0.0]
-             else:
-                energy = [float(f) for f in eigenenergies[1:].replace("'","").replace(",","").replace("]","").replace("one","").replace(" ."," 0.").replace(" -."," -0.").replace("\\n","").replace("-"," -").split()]
-             eigenen2 = np.append(eigenen2, energy)
-             viroccupationsbet = np.zeros(len(eigenen2), dtype=float)
-             leneigenenconbet = len(eigenen1) + len(eigenen2)
-             eigenenconbet = np.concatenate((eigenen1,eigenen2), axis=0)
-             eigenenconbet = convert_unit(eigenenconbet, "hartree", "J")
-             occupconbet = np.concatenate((occoccupationsbet, viroccupationsbet), axis=0)
-             if(leneigenenconalp >= leneigenenconbet):
-                 eigenenall = np.zeros(2*leneigenenconalp)
-                 occupall = np.zeros(2*leneigenenconalp)
-             else:
-                 eigenenall = np.zeros(2*leneigenenconbet)
-                 occupall = np.zeros(2*leneigenenconbet)
-             eigenenall[:len(eigenenconalp) + len(eigenenconbet)] = np.concatenate((eigenenconalp,eigenenconbet), axis=0)
-             occupall[:len(occupconalp) + len(occupconbet)] = np.concatenate((occupconalp,occupconbet), axis=0)
-             eigenenall = np.reshape(eigenenall,(2, 1, max(len(eigenenconalp),len(eigenenconbet))))
-             occupall = np.reshape(occupall,(2, 1, max(len(occupconalp),len(occupconbet))))
-             backend.addArrayValues("eigenvalues_values", eigenenall)
-             backend.addArrayValues("eigenvalues_occupation", occupall)
-
-      def onClose_x_gaussian_section_orbital_symmetries(self, backend, gIndex, section):
-          symoccalpha = str(section["x_gaussian_alpha_occ_symmetry_values"])
-          symviralpha = str(section["x_gaussian_alpha_vir_symmetry_values"])
-          if(section["x_gaussian_beta_occ_symmetry_values"]):
-             symoccbeta = str(section["x_gaussian_beta_occ_symmetry_values"])
-             symvirbeta = str(section["x_gaussian_beta_vir_symmetry_values"])
-
-          symmetry = [str(f) for f in symoccalpha[1:].replace(",","").replace("(","").replace(")","").replace("]","").replace("'A","A").replace("\\'","'").replace("A''","A'").replace("'E","E").replace("G'","G").replace("\"A'\"","A'").split()]
-          sym1 = []
-          sym1 = np.append(sym1, symmetry)
-          symmetry = [str(f) for f in symviralpha[1:].replace(",","").replace("(","").replace(")","").replace("]","").replace("'A","A").replace("\\'","'").replace("A''","A'").replace("\"A'\"","A'").replace("'E","E").replace("G'","G").split()]
-          sym2 = []
-          sym2 = np.append(sym2, symmetry)
-          symmetrycon = np.concatenate((sym1, sym2), axis=0)
-          backend.addArrayValues("x_gaussian_alpha_symmetries", symmetrycon)
-
-          if(section["x_gaussian_beta_occ_symmetry_values"]):
-             symmetry = [str(f) for f in symoccbeta[1:].replace(",","").replace("(","").replace(")","").replace("]","").replace("'A","A").replace("\\'","'").replace("A''","A'").replace("\"A'\"","A'").replace("'E","E").replace("G'","G").split()]
-             sym1 = []
-             sym1 = np.append(sym1, symmetry)
-             symmetry = [str(f) for f in symvirbeta[1:].replace(",","").replace("(","").replace(")","").replace("]","").replace("'A","A").replace("\\'","'").replace("A''","A'").replace("\"A'\"","A'").replace("'E","E").replace("G'","G").split()]
-             sym2 = []
-             sym2 = np.append(sym2, symmetry)
-             symmetrycon = np.concatenate((sym1, sym2), axis=0)
-             backend.addArrayValues("x_gaussian_beta_symmetries", symmetrycon)
-
-      def onClose_x_gaussian_section_molecular_multipoles(self, backend, gIndex, section):
-          if(section["quadrupole_moment_xx"]):
-             x_gaussian_number_of_lm_molecular_multipoles = 35
-          else:
-             x_gaussian_number_of_lm_molecular_multipoles = 4
-
-          x_gaussian_molecular_multipole_m_kind = 'polynomial'
-
-          char = str(section["charge"])
-          cha = str([char])
-          charge = [float(f) for f in cha[1:].replace("-."," -0.").replace("'."," 0.").replace("'","").replace("[","").replace("]","").replace(",","").replace('"','').split()]
-
-          if(section["dipole_moment_x"]):
-            dipx = section["dipole_moment_x"]
-            dipy = section["dipole_moment_y"]
-            dipz = section["dipole_moment_z"]
-            dip = str([dipx, dipy, dipz])
-            dipoles = [float(f) for f in dip[1:].replace("-."," -0.").replace("'."," 0.").replace("'","").replace("[","").replace("]","").replace(",","").split()]
-            dipoles = convert_unit(dipoles, "debye", "coulomb * meter")
-
-          if(section["quadrupole_moment_xx"]):
-            quadxx = section["quadrupole_moment_xx"]
-            quadxy = section["quadrupole_moment_xy"]
-            quadyy = section["quadrupole_moment_yy"]
-            quadxz = section["quadrupole_moment_xz"]
-            quadyz = section["quadrupole_moment_yz"]
-            quadzz = section["quadrupole_moment_zz"]
-            quad = str([quadxx, quadxy, quadyy, quadxz, quadyz, quadzz])
-            quadrupoles = [float(f) for f in quad[1:].replace("-."," -0.").replace("'."," 0.").replace("'","").replace("[","").replace("]","").replace(",","").split()]
-            quadrupoles = convert_unit(quadrupoles, "debye * angstrom", "coulomb * meter**2")
-
-          if(section["octapole_moment_xxx"]):
-            octaxxx = section["octapole_moment_xxx"]
-            octayyy = section["octapole_moment_yyy"]
-            octazzz = section["octapole_moment_zzz"]
-            octaxyy = section["octapole_moment_xyy"]
-            octaxxy = section["octapole_moment_xxy"]
-            octaxxz = section["octapole_moment_xxz"]
-            octaxzz = section["octapole_moment_xzz"]
-            octayzz = section["octapole_moment_yzz"]
-            octayyz = section["octapole_moment_yyz"]
-            octaxyz = section["octapole_moment_xyz"]
-            octa = str([octaxxx, octayyy, octazzz, octaxyy, octaxxy, octaxxz, octaxzz, octayzz, octayyz, octaxyz])
-            octapoles = [float(f) for f in octa[1:].replace("-."," -0.").replace("'."," 0.").replace("'","").replace("[","").replace("]","").replace(",","").split()]
-            octapoles = convert_unit(octapoles, "debye * angstrom**2", "coulomb * meter**3")
-
-          if(section["hexadecapole_moment_xxxx"]):
-            hexadecaxxxx = section["hexadecapole_moment_xxxx"]
-            hexadecayyyy = section["hexadecapole_moment_yyyy"]
-            hexadecazzzz = section["hexadecapole_moment_zzzz"]
-            hexadecaxxxy = section["hexadecapole_moment_xxxy"]
-            hexadecaxxxz = section["hexadecapole_moment_xxxz"]
-            hexadecayyyx = section["hexadecapole_moment_yyyx"]
-            hexadecayyyz = section["hexadecapole_moment_yyyz"]
-            hexadecazzzx = section["hexadecapole_moment_zzzx"]
-            hexadecazzzy = section["hexadecapole_moment_zzzy"]
-            hexadecaxxyy = section["hexadecapole_moment_xxyy"]
-            hexadecaxxzz = section["hexadecapole_moment_xxzz"]
-            hexadecayyzz = section["hexadecapole_moment_yyzz"]
-            hexadecaxxyz = section["hexadecapole_moment_xxyz"]
-            hexadecayyxz = section["hexadecapole_moment_yyxz"]
-            hexadecazzxy = section["hexadecapole_moment_zzxy"]
-            hexa = str([hexadecaxxxx, hexadecayyyy, hexadecazzzz, hexadecaxxxy, hexadecaxxxz, hexadecayyyx, hexadecayyyz,
-            hexadecazzzx, hexadecazzzy, hexadecaxxyy, hexadecaxxzz, hexadecayyzz, hexadecaxxyz, hexadecayyxz, hexadecazzxy])
-            hexadecapoles = [float(f) for f in hexa[1:].replace("-."," -0.").replace("'."," 0.").replace("'","").replace("[","").replace("]","").replace(",","").split()]
-            hexadecapoles = convert_unit(hexadecapoles, "debye * angstrom**3", "coulomb * meter**4")
-
-          if(section["quadrupole_moment_xx"]):
-             multipoles = np.hstack((charge, dipoles, quadrupoles, octapoles, hexadecapoles))
-          else:
-             multipoles = np.hstack((charge, dipoles))
-
-          x_gaussian_molecular_multipole_values = np.resize(multipoles, (x_gaussian_number_of_lm_molecular_multipoles))
-
-          backend.addArrayValues("x_gaussian_molecular_multipole_values", x_gaussian_molecular_multipole_values)
-          backend.addValue("x_gaussian_molecular_multipole_m_kind", x_gaussian_molecular_multipole_m_kind)
-
-      def onClose_x_gaussian_section_frequencies(self, backend, gIndex, section):
-          frequencies = str(section["x_gaussian_frequency_values"])
-          vibfreqs = []
-          freqs = [float(f) for f in frequencies[1:].replace("'","").replace(",","").replace("]","").replace("one","").replace("\\n","").replace(" ."," 0.").replace(" -."," -0.").split()]
-          vibfreqs = np.append(vibfreqs, freqs)
-          vibfreqs = convert_unit(vibfreqs, "inversecm", "J")
-          backend.addArrayValues("x_gaussian_frequencies", vibfreqs)
-
-          masses = str(section["x_gaussian_reduced_masses"])
-          vibreducedmasses = []
-          reduced = [float(f) for f in masses[1:].replace("'","").replace(",","").replace("]","").replace("one","").replace(" ."," 0.").split()]
-          vibreducedmasses = np.append(vibreducedmasses, reduced)
-          vibreducedmasses = convert_unit(vibreducedmasses, "amu", "kilogram")
-          backend.addArrayValues("x_gaussian_red_masses", vibreducedmasses)
-
-          vibnormalmodes = []
-          vibdisps = str(section["x_gaussian_normal_modes"])
-          disps = [float(s) for s in vibdisps[1:].replace("'","").replace(",","").replace("]","").replace("one","").replace("\\n","").replace(" ."," 0.").replace(" -."," -0.").split()]
-          dispsnew = np.zeros(len(disps), dtype = float)
-
-#  Reorder disps
-
-          if len(vibfreqs) % 3 == 0:
-             k = 0
-             for p in range(0,len(vibfreqs) // 3):
-                M = int(len(disps)/len(vibfreqs)) * (p+1)
-                for m in range(3):
-                  for n in range(M - int(len(disps) / len(vibfreqs)),M,3):
-                    for l in range(3):
-                      dispsnew[k] = disps[3*(n + m) + l]
-                      k = k + 1
-          elif len(vibfreqs) % 3 != 0:
-             k = 0
-             for p in range(len(vibfreqs)-1,0,-3):
-                M = (len(disps) - int(len(disps) / len(vibfreqs))) // p
-                for m in range(3):
-                  for n in range(M - int(len(disps) / len(vibfreqs)),M,3):
-                    for l in range(3):
-                      dispsnew[k] = disps[3*(n + m) + l]
-                      k = k + 1
-             for m in range(int(len(disps) / len(vibfreqs))):
-                   dispsnew[k] = disps[k]
-                   k = k + 1
-
-          vibnormalmodes = np.append(vibnormalmodes, dispsnew)
-          if len(vibfreqs) != 0:
-            natoms = int(len(disps) / len(vibfreqs) / 3)
-            vibnormalmodes = np.reshape(vibnormalmodes,(len(vibfreqs),natoms,3))
-            backend.addArrayValues("x_gaussian_normal_mode_values", vibnormalmodes)
-
-      def onClose_x_gaussian_section_force_constant_matrix(self, backend, gIndex, section):
-
-          forcecnstvalues = []
-          forceconst = str(section["x_gaussian_force_constants"])
-          numbers = [float(s) for s in forceconst[1:].replace("'","").replace(",","").replace("]","").replace("\\n","").replace("D","E").replace(" ."," 0.").replace(" -."," -0.").split()]
-          length = len(numbers)
-          dim = int(((1 + 8 * length)**0.5 - 1) / 2)
-          cartforceconst = np.zeros([dim, dim])
-          forcecnstvalues = np.append(forcecnstvalues, numbers)
-          if dim > 6:
-             l = 0
-             for i in range(0,5):
-                for k in range(0,i+1):
-                   l = l + 1
-                   cartforceconst[i,k] = forcecnstvalues[l-1]
-             for i in range(5,dim):
-                for k in range(0,5):
-                   l = l + 1
-                   cartforceconst[i,k] = forcecnstvalues[l-1]
-             for i in range(5,dim-2):
-                for k in range(5,i+1):
-                   l = l + 1
-                   cartforceconst[i,k] = forcecnstvalues[l-1]
-             for i in range(dim-2,dim):
-                for k in range(5,dim-2):
-                   l = l + 1
-                   cartforceconst[i,k] = forcecnstvalues[l-1]
-             for i in range(dim-2,dim):
-                for k in range(i,dim):
-                   l = l + 1
-                   cartforceconst[i,k] = forcecnstvalues[l-1]
-          elif dim == 6:
-             l = 0
-             for i in range(0,5):
-                for k in range(0,i+1):
-                   l = l + 1
-                   cartforceconst[i,k] = forcecnstvalues[l-1]
-             for i in range(5,dim):
-                for k in range(0,5):
-                   l = l + 1
-                   cartforceconst[i,k] = forcecnstvalues[l-1]
-             for i in range(dim,dim):
-                for k in range(i,dim):
-                   l = l + 1
-                   cartforceconst[i,k] = forcecnstvalues[l-1]
-
-          for i in range(0,dim):
-             for k in range(i+1,dim):
-                 cartforceconst[i,k] = cartforceconst[k,i]
-
-          cartforceconst = convert_unit(cartforceconst, "hartree / (bohr ** 2)", "J / (meter**2)")
-
-          backend.addArrayValues("x_gaussian_force_constant_values", cartforceconst)
-
-      def onOpen_section_method(self, backend, gIndex, section):
-        # keep track of the latest method section
-        self.secMethodIndex = gIndex
-
-      def onClose_section_method(self, backend, gIndex, section):
-       # handling of xc functional
-       # Dictionary for conversion of xc functional name in Gaussian to metadata format.
-       # The individual x and c components of the functional are given as dictionaries.
-       # Possible key of such a dictionary is 'name'.
-        xcDict = {
-              'S':          [{'name': 'LDA_X'}],
-              'XA':	    [{'name': 'X_ALPHA'}],
-              'VWN':        [{'name': 'LDA_C_VWN'}],
-              'VWN3':       [{'name': 'LDA_C_VWN_3'}],
-              'LSDA':       [{'name': 'LDA_X'}, {'name': 'LDA_C_VWN'}],
-              'B':          [{'name': 'GGA_X_B88'}],
-              'BLYP':       [{'name': 'GGA_C_LYP'}, {'name': 'GGA_X_B88'}],
-              'PBEPBE':     [{'name': 'GGA_C_PBE'}, {'name': 'GGA_X_PBE'}],
-              'PBEH':       [{'name': 'GGA_X_PBEH'}],
-              'WPBEH':      [{'name': 'GGA_X_WPBEH'}],
-              'PW91PW91':   [{'name': 'GGA_C_PW91'}, {'name': 'GGA_X_PW91'}],
-              'M06L':       [{'name': 'MGGA_C_M06_L'}, {'name': 'MGGA_X_M06_L'}],
-              'M11L':       [{'name': 'MGGA_C_M11_L'}, {'name': 'MGGA_X_M11_L'}],
-              'SOGGA11':    [{'name': 'GGA_XC_SOGGA11'}],
-              'MN12L':      [{'name': 'GGA_XC_MN12L'}],
-              'N12':        [{'name': 'GGA_C_N12'}, {'name': 'GGA_X_N12'}],
-              'VSXC':       [{'name': 'MGGA_XC_VSXC'}],
-              'HCTH93':     [{'name': 'GGA_XC_HCTH_93'}],
-              'HCTH147':    [{'name': 'GGA_XC_HCTH_147'}],
-              'HCTH407':    [{'name': 'GGA_XC_HCTH_407'}],
-              'HCTH':       [{'name': 'GGA_XC_HCTH_407'}],
-              'B97D':       [{'name': 'GGA_XC_B97D'}],
-              'B97D3':      [{'name': 'GGA_XC_B97D3'}],
-              'MPW':        [{'name': 'GGA_X_MPW'}],
-              'G96':        [{'name': 'GGA_X_G96'}],
-              'O':          [{'name': 'GGA_X_O'}],
-              'BRX':        [{'name': 'GGA_X_BRX'}],
-              'PKZB':       [{'name': 'GGA_C_PKZB'}, {'name': 'GGA_X_PKZB'}],
-              'PL':         [{'name': 'C_PL'}],
-              'P86':        [{'name': 'GGA_C_P86'}],
-              'B95':        [{'name': 'MGGA_C_B95'}],
-              'KCIS':       [{'name': 'GGA_C_KCIS'}],
-              'BRC':        [{'name': 'GGA_C_BRC'}],
-              'VP86':       [{'name': 'GGA_C_VP86'}],
-              'V5LYP':      [{'name': 'GGA_C_V5LYP'}],
-              'THCTH':      [{'name': 'MGGA_XC_TAU_HCTH'}],
-              'TPSSTPSS':   [{'name': 'MGGA_C_TPSS'}, {'name': 'MGGA_X_TPSS'}],
-              'B3LYP':      [{'name': 'HYB_GGA_XC_B3LYP'}],
-              'B3PW91':     [{'name': 'HYB_GGA_XC_B3PW91'}],
-              'B3P86':      [{'name': 'HYB_GGA_XC_B3P86'}],
-              'B1B95':      [{'name': 'HYB_GGA_XC_B1B95'}],
-              'MPW1PW91':   [{'name': 'HYB_GGA_XC_MPW1PW91'}],
-              'MPW1LYP':    [{'name': 'HYB_GGA_XC_MPW1LYP'}],
-              'MPW1PBE':    [{'name': 'HYB_GGA_XC_MPW1PBE'}],
-              'MPW3PBE':    [{'name': 'HYB_GGA_XC_MPW3PBE'}],
-              'B98':        [{'name': 'HYB_GGA_XC_B98'}],
-              'B971':       [{'name': 'HYB_GGA_XC_B971'}],
-              'B972':       [{'name': 'HYB_GGA_XC_B972'}],
-              'O3LYP':      [{'name': 'HYB_GGA_XC_O3LYP'}],
-              'TPSSH':      [{'name': 'HYB_GGA_XC_TPSSh'}],
-              'BMK':        [{'name': 'HYB_MGGA_XC_BMK'}],
-              'X3LYP':      [{'name': 'HYB_GGA_XC_X3LYP'}],
-              'THCTHHYB':   [{'name': 'HYB_MGGA_XC_THCTHHYB'}],
-              'BHANDH':     [{'name': 'HYB_GGA_XC_BHANDH'}],
-              'BHANDHLYP':  [{'name': 'HYB_GGA_XC_BHANDHLYP'}],
-              'APF':        [{'name': 'HYB_GGA_XC_APF'}],
-              'APFD':       [{'name': 'HYB_GGA_XC_APFD'}],
-              'B97D':       [{'name': 'HYB_GGA_XC_B97D'}],
-              'RHF':        [{'name': 'RHF_X'}],
-              'UHF':        [{'name': 'UHF_X'}],
-              'ROHF':       [{'name': 'ROHF_X'}],
-              'OHSE2PBE':   [{'name': 'HYB_GGA_XC_HSE03'}],
-              'HSEH1PBE':   [{'name': 'HYB_GGA_XC_HSE06'}],
-              'OHSE1PBE':   [{'name': 'HYB_GGA_XC_HSEOLD'}],
-              'PBEH1PBE':   [{'name': 'HYB_GGA_XC_PBEH1PBE'}],
-              'PBE1PBE':    [{'name': 'HYB_GGA_XC_PBE1PBE'}],
-              'M05':        [{'name': 'HYB_MGGA_XC_M05'}],
-              'M052X':      [{'name': 'HYB_MGGA_XC_M05_2X'}],
-              'M06':        [{'name': 'HYB_MGGA_XC_M06'}],
-              'M062X':      [{'name': 'HYB_MGGA_XC_M06_2X'}],
-              'M06HF':      [{'name': 'HYB_MGGA_XC_M06_HF'}],
-              'M11':        [{'name': 'HYB_MGGA_XC_M11'}],
-              'SOGGAX11':   [{'name': 'HYB_MGGA_XC_SOGGA11_X'}],
-              'MN12SX':     [{'name': 'HYB_MGGA_XC_MN12_SX'}],
-              'N12SX':      [{'name': 'HYB_MGGA_XC_N12_SX'}],
-              'LC-WPBE':    [{'name': 'LC-WPBE'}],
-              'CAM-B3LYP':  [{'name': 'CAM-B3LYP'}],
-              'WB97':       [{'name': 'WB97'}],
-              'WB97X':      [{'name': 'WB97X'}],
-              'WB97XD':     [{'name': 'WB97XD'}],
-              'HISSBPBE':   [{'name': 'HISSBPBE'}],
-              'B2PLYP':     [{'name': 'B2PLYP'}],
-              'MPW2PLYP':   [{'name': 'MPW2PLYP'}],
-              'B2PLYPD':    [{'name': 'B2PLYPD'}],
-              'MPW2PLYPD':  [{'name': 'MPW2PLYPD'}],
-              'B97D3':      [{'name': 'B97D3'}],
-              'B2PLYPD3':   [{'name': 'B2PLYPD3'}],
-              'MPW2PLYPD3': [{'name': 'MPW2PLYPD3'}],
-              'LC-':        [{'name': 'LONG-RANGE CORRECTED'}],
-             }
-
-        methodDict = {
-              'AMBER':     [{'name': 'Amber'}],
-              'DREIDING':  [{'name': 'Dreiding'}],
-              'UFF':       [{'name': 'UFF'}],
-              'AM1':       [{'name': 'AM1'}],
-              'PM3':       [{'name': 'PM3'}],
-              'PM3MM':     [{'name': 'PM3MM'}],
-              'PM3D3':     [{'name': 'PM3D3'}],
-              'PM6':       [{'name': 'PM6'}],
-              'PDDG':      [{'name': 'PDDG'}],
-              'CNDO':      [{'name': 'CNDO'}],
-              'INDO':      [{'name': 'INDO'}],
-              'MINDO':     [{'name': 'MINDO'}],
-              'MINDO3':    [{'name': 'MINDO3'}],
-              'ZINDO':     [{'name': 'ZINDO'}],
-              'HUCKEL':    [{'name': 'HUCKEL'}],
-              'EXTENDEDHUCKEL':    [{'name': 'HUCKEL'}],
-              'ONIOM':     [{'name': 'ONIOM'}],
-              'HF':        [{'name': 'HF'}],
-              'RHF':       [{'name': 'RHF'}],
-              'UHF':       [{'name': 'UHF'}],
-              'ROHF':      [{'name': 'ROHF'}],
-              'GVB':       [{'name': 'GVB'}],
-              'DFT':       [{'name': 'DFT'}],
-              'CID':       [{'name': 'CID'}],
-              'CISD':      [{'name': 'CISD'}],
-              'CIS':       [{'name': 'CIS'}],
-              'BD':        [{'name': 'BD'}],
-              'BD(T)':     [{'name': 'BD(T)'}],
-              'CCD':       [{'name': 'CCD'}],
-              'CCSD':      [{'name': 'CCSD'}],
-              'EOMCCSD':   [{'name': 'EOMCCSD'}],
-              'QCISD':     [{'name': 'QCISD'}],
-              'CCSD(T)':   [{'name': 'CCSD(T)'}],
-              'QCISD(T)':  [{'name': 'QCISD(T)'}],
-              'QCISD(TQ)': [{'name': 'QCISD(TQ)'}],
-              'MP2':       [{'name': 'MP2'}],
-              'MP3':       [{'name': 'MP3'}],
-              'MP4':       [{'name': 'MP4'}],
-              'MP4DQ':     [{'name': 'MP4DQ'}],
-              'MP4(DQ)':   [{'name': 'MP4DQ'}],
-              'MP4SDQ':    [{'name': 'MP4SDQ'}],
-              'MP4(SDQ)':  [{'name': 'MP4SDQ'}],
-              'MP4SDTQ':   [{'name': 'MP4SDTQ'}],
-              'MP4(SDTQ)': [{'name': 'MP4SDTQ'}],
-              'MP5':       [{'name': 'MP5'}],
-              'CAS':       [{'name': 'CASSCF'}],
-              'CASSCF':    [{'name': 'CASSCF'}],
-              'G1':        [{'name': 'G1'}],
-              'G2':        [{'name': 'G2'}],
-              'G2MP2':     [{'name': 'G2MP2'}],
-              'G3':        [{'name': 'G3'}],
-              'G3MP2':     [{'name': 'G3MP2'}],
-              'G3B3':      [{'name': 'G3B3'}],
-              'G3MP2B3':   [{'name': 'G3MP2B3'}],
-              'G4':        [{'name': 'G4'}],
-              'G4MP2':     [{'name': 'G4MP2'}],
-              'CBSEXTRAP':   [{'name': 'CBSExtrapolate'}],
-              'CBSEXTRAPOLATE':   [{'name': 'CBSExtrapolate'}],
-              'CBS-4M':    [{'name': 'CBS-4M'}],
-              'CBS-4O':    [{'name': 'CBS-4O'}],
-              'CBS-QB3':   [{'name': 'CBS-QB3'}],
-              'CBS-QB3O':  [{'name': 'CBS-QB3O'}],
-              'CBS-APNO':  [{'name': 'CBS-APNO'}],
-              'W1U':       [{'name': 'W1U'}],
-              'W1BD':      [{'name': 'W1BD'}],
-              'W1RO':      [{'name': 'W1RO'}],
-             }
-
-        basissetDict = {
-              'STO-3G':      [{'name': 'STO-3G'}],
-              '3-21G':       [{'name': '3-21G'}],
-              '6-21G':       [{'name': '6-21G'}],
-              '4-31G':       [{'name': '4-31G'}],
-              '6-31G':       [{'name': '6-31G'}],
-              '6-311G':      [{'name': '6-311G'}],
-              'D95V':        [{'name': 'D95V'}],
-              'D95':         [{'name': 'D95'}],
-              'CC-PVDZ':     [{'name': 'cc-pVDZ'}],
-              'CC-PVTZ':     [{'name': 'cc-pVTZ'}],
-              'CC-PVQZ':     [{'name': 'cc-pVQZ'}],
-              'CC-PV5Z':     [{'name': 'cc-pV5Z'}],
-              'CC-PV6Z':     [{'name': 'cc-pV6Z'}],
-              'SV':          [{'name': 'SV'}],
-              'SVP':         [{'name': 'SVP'}],
-              'TZV':         [{'name': 'TZV'}],
-              'TZVP':        [{'name': 'TZVP'}],
-              'DEF2SV':      [{'name': 'Def2SV'}],
-              'DEF2SVP':     [{'name': 'Def2SVP'}],
-              'DEF2SVPP':    [{'name': 'Def2SVPP'}],
-              'DEF2TZV':     [{'name': 'Def2TZV'}],
-              'DEF2TZVP':    [{'name': 'Def2TZVP'}],
-              'DEF2TZVPP':   [{'name': 'Def2TZVPP'}],
-              'DEF2QZV':     [{'name': 'Def2QZV'}],
-              'DEF2QZVP':    [{'name': 'Def2QZVP'}],
-              'DEF2QZVPP':   [{'name': 'Def2QZVPP'}],
-              'QZVP':        [{'name': 'QZVP'}],
-              'MIDIX':       [{'name': 'MidiX'}],
-              'EPR-II':      [{'name': 'EPR-II'}],
-              'EPR-III':     [{'name': 'EPR-III'}],
-              'UGBS':        [{'name': 'UGBS'}],
-              'MTSMALL':     [{'name': 'MTSmall'}],
-              'DGDZVP':      [{'name': 'DGDZVP'}],
-              'DGDZVP2':     [{'name': 'DGDZVP2'}],
-              'DGTZVP':      [{'name': 'DGTZVP'}],
-              'CBSB3':       [{'name': 'CBSB3'}],
-              'CBSB7':       [{'name': 'CBSB7'}],
-              'SHC':         [{'name': 'SHC'}],
-              'SEC':         [{'name': 'SHC'}],
-              'CEP-4G':      [{'name': 'CEP-4G'}],
-              'CEP-31G':     [{'name': 'CEP-31G'}],
-              'CEP-121G':    [{'name': 'CEP-121G'}],
-              'LANL1':       [{'name': 'LANL1'}],
-              'LANL2':       [{'name': 'LANL2'}],
-              'SDD':         [{'name': 'SDD'}],
-              'OLDSDD':      [{'name': 'OldSDD'}],
-              'SDDALL':      [{'name': 'SDDAll'}],
-              'GEN':         [{'name': 'General'}],
-              'GENECP':      [{'name': 'General ECP'}],
-              'CHKBAS':      [{'name': 'CHKBAS'}],
-              'EXTRABASIS':  [{'name': 'ExtraBasis'}],
-              'DGA1':        [{'name': 'DGA1'}],
-              'DGA2':        [{'name': 'DGA2'}],
-              'SVPFIT':      [{'name': 'SVPFit'}],
-              'TZVPFIT':     [{'name': 'TZVPFit'}],
-              'W06':         [{'name': 'W06'}],
-              'CHF':         [{'name': 'CHF'}],
-              'FIT':         [{'name': 'FIT'}],
-              'AUTO':        [{'name': 'AUTO'}],
-             }
-
-        global xc, method, basisset, xcWrite, methodWrite, basissetWrite, methodreal, basissetreal, exc, corr, exccorr, methodprefix
-        xc = None
-        method = None
-        basisset = None
-        xcWrite = False
-        methodWrite = False
-        basissetWrite = False
-        methodreal = None
-        basissetreal = None
-        methodprefix = None
-        exc = None
-        corr = None
-        exccorr = None
-
-        settings = section["x_gaussian_settings"]
-        settings1 = str(settings[0]).strip()
-        settings2 = str(settings[1]).strip()
-        settings = [settings1, settings2]
-        settings = [''.join(map(str,settings))]
-        settings = str(settings)
-        settings = re.sub('[-]{2,}', '', settings)
-        backend.addValue("x_gaussian_settings_corrected", settings)
-
-        method1 = settings.replace("['#p ","").replace("['#P ","").replace("['#","")
-        method1 = method1.upper()
-
-        if 'ONIOM' not in method1:
-          if settings.find("/") >= 0:
-               method1 = settings.split('/')[0].replace("['#p ","").replace("['#P ","").replace("['#","")
-               method1 = method1.upper()
-               for x in method1.split():
-                  method2 = str(x)
-                  if method2 != 'RHF' and method2 != 'UHF' and method2 != 'ROHF' and method2 != 'UFF':
-                     if (method2[0] == 'R' and method2[0:2] != 'RO') or method2[0] == 'U':
-                        methodprefix = method2[0]
-                        method2 = method2[1:]
-                     elif method2[0:2] == 'RO':
-                        methodprefix = method2[0:2]
-                        method2 = method2[2:]
-                  if method2[0:2] == 'SV' or method2[0] == 'B' or method2[0] == 'O':
-                     if method2[1] != '2' and method2[1] != '3':
-                       if method2[0] in xcDict.keys() and method2[1:] in xcDict.keys():
-                         exc = method2[0]
-                         corr = method2[1:]
-                         excfunc = xcDict[exc][0]['name']
-                         corrfunc = xcDict[corr][0]['name']
-                         xc = str(excfunc) + "_" + str(corrfunc)
-                  if method2[0:3] == 'BRX' or method2[0:3] == 'G96':
-                    exc = method2[0:3]
-                    corr = method2[3:]
-                    if exc in xcDict.keys() and corr in xcDict.keys():
-                      excfunc = xcDict[exc][0]['name']
-                      corrfunc = xcDict[corr][0]['name']
-                      xc = str(excfunc) + "_" + str(corrfunc)
-                  if method2[0:5] == 'WPBEH':
-                    exc = method2[0:5]
-                    corr = method2[6:]
-                    if exc in xcDict.keys() and corr in xcDict.keys():
-                      excfunc = xcDict[exc][0]['name']
-                      corrfunc = xcDict[corr][0]['name']
-                      xc = str(excfunc) + "_" + str(corrfunc)
-                  if method2[0:3] == 'LC-':
-                     exccorr = method2[3:]
-                     if exccorr in xcDict.keys():
-                        xc = 'LC-' + xcDict.get([exccorr][-1])
-                  if method2 in xcDict.keys():
-                     xc = method2
-                     xcWrite= True
-                     methodWrite = True
-                     method = 'DFT'
-                  if method2 in methodDict.keys():
-                     method = method2
-                     methodWrite = True
-                     methodreal = method2
-                  else:
-                     for n in range(2,9):
-                        if method2[0:n] in methodDict.keys():
-                          method = method2[0:n]
-                          methodWrite = True
-                          methodreal = method2
-                        if method2[0:n] in xcDict.keys():
-                          xc = method2[0:n]
-                          xcWrite = True
-                          methodWrite = True
-                          method = 'DFT'
-                        if method2[0:9] == 'CBSEXTRAP':
-                          method = method2[0:9]
-                          methodWrite = True
-                          methodreal = method2
-               rest = settings.split('/')[1].replace("'","").replace("]","")
-               rest = rest.upper()
-               for x in rest.split():
-                  if x in basissetDict.keys():
-                     basisset = x
-                     basissetWrite = True
-                     basissetreal = x
-                  if 'D95' in x:
-                     method2 = x
-                     basisset = method2[0:3]
-                     basissetWrite = True
-                     basissetreal = method2
-                  if 'AUG-' in x:
-                     method2 = x
-                     basisset = method2[4:]
-                     basissetWrite = True
-                     basissetreal = method2
-                  if 'UGBS' in x:
-                     method2 = x
-                     basisset = method2[0:4]
-                     basissetWrite = True
-                     basissetreal = method2
-                  if 'CBSB7' in x:
-                     method2 = x
-                     basisset = method2[0:5]
-                     basissetWrite = True
-                     basissetreal = method2
-                  if 'LANL1' in x:
-                     method2 = x
-                     basisset = method2[0:5]
-                     basissetWrite = True
-                     basissetreal = method2
-                  if 'LANL2' in x:
-                     method2 = x
-                     basisset = method2[0:5]
-                     basissetWrite = True
-                     basissetreal = method2
-                  if '6-31' in x:
-                     method2 = x
-                     if '6-311' in x:
-                        basisset = '6-311G'
-                        basissetWrite = True
-                        basissetreal = '6-311' + method2[5:]
-                     else:
-                        basisset = '6-31G'
-                        basissetWrite = True
-                        basissetreal = '6-31' + method2[4:]
-                  slashes = settings.count('/')
-                  if slashes > 1:
-                    rest2 = settings.split()[1]
-                    rest2 = rest2.upper()
-                    for z in rest2.split('/'):
-                       if z in basissetDict.keys():
-                         basisset = z
-                    basissetWrite = True
-                    if (len(rest2.split('/')) == 2):
-                       if(basisset is not None):
-                          basissetreal = rest2.split('/')[1] + '/' + basisset
-                       else:
-                          basissetreal = rest2.split('/')[1]
-                    else:
-                       pass
-          else:
-               method1 = settings.split()
-               for x in method1:
-                  method2 = str(x)
-                  method2 = method2.upper()
-                  if method2 != 'RHF' and method2 != 'UHF' and method2 != 'ROHF' and method2 != 'UFF':
-                    if (method2[0] == 'R' and method2[0:2] != 'RO') or method2[0] == 'U':
-                      methodprefix = method2[0]
-                      method2 = method2[1:]
-                    elif method2[0:2] == 'RO':
-                      methodprefix = method2[0:2]
-                      method2 = method2[2:]
-                  if method2[0:2] == 'SV' or method2[0] == 'B' or method2[0] == 'O':
-                    if method2[0] in xcDict.keys() and method2[1:] in xcDict.keys():
-                      exc = method2[0]
-                      corr = method2[1:]
-                      excfunc = xcDict[exc][0]['name']
-                      corrfunc = xcDict[corr][0]['name']
-                      xc = str(excfunc) + "_" + str(corrfunc)
-                  if method2[0:3] == 'BRX' or method2[0:3] == 'G96':
-                    exc = method2[0:3]
-                    corr = method2[3:]
-                    if exc in xcDict.keys() and corr in xcDict.keys():
-                      excfunc = xcDict[exc][0]['name']
-                      corrfunc = xcDict[corr][0]['name']
-                      xc = str(excfunc) + "_" + str(corrfunc)
-                  if method2[0:5] == 'WPBEH':
-                   exc = method2[0:5]
-                   corr = method2[6:]
-                   if exc in xcDict.keys() and corr in xcDict.keys():
-                      excfunc = xcDict[exc][0]['name']
-                      corrfunc = xcDict[corr][0]['name']
-                      xc = str(excfunc) + "_" + str(corrfunc)
-                  if method2[0:3] == 'LC-':
-                   exccorr = method2[3:]
-                   if exccorr in xcDict.keys():
-                      xc = 'LC-' + xcDict.get([exccorr][-1])
-                  if method2 in xcDict.keys():
-                   xc = method2
-                   xcWrite= True
-                   method = 'DFT'
-                  if method2 in methodDict.keys():
-                   method = method2
-                   methodWrite = True
-                   methodreal = method2
-                  else:
-                   for n in range(2,9):
-                      if method2[0:n] in methodDict.keys():
-                         method = method2[0:n]
-                         methodWrite = True
-                         methodreal = method2
-                      if method2[0:9] == 'CBSEXTRAP':
-                         method = method2[0:9]
-                         methodWrite = True
-                         methodreal = method2
-                  if method2 in basissetDict.keys():
-                   basisset = method2
-                   basissetWrite = True
-                   basissetreal = method2
-                  if 'D95' in method2:
-                   basisset = method2[0:3]
-                   basissetWrite = True
-                   basissetreal = method2
-                  if 'AUG-' in method2:
-                   basisset = method2[4:]
-                   basissetWrite = True
-                   basissetreal = method2
-                  if 'UGBS' in method2:
-                   basisset = method2[0:4]
-                   basissetWrite = True
-                   basissetreal = method2
-                  if 'CBSB7' in method2:
-                   basisset = method2[0:5]
-                   basissetWrite = True
-                   basissetreal = method2
-                  if '6-31' in method2:
-                   if '6-311' in method2:
-                      basisset = '6-311G'
-                      basissetWrite = True
-                      basissetreal = '6-311' + method2[5:]
-                   else:
-                      basisset = '6-31G'
-                      basissetWrite = True
-                      basissetreal = '6-31' + method2[4:]
-
-# special options for ONIOM calculations
-        else:
-          method = 'ONIOM'
-          methodWrite = True
-          method1 = settings.split()
-          for x in method1:
-             method2 = str(x)
-             method2 = method2.upper()
-             if 'ONIOM' in method2:
-                methodreal = method2
-
-# functionals where hybrid_xc_coeff are written
-
-        if xc is not None:
-          # check if only one xc keyword was found in output
-          if len([xc]) > 1:
-              logger.error("Found %d settings for the xc functional: %s. This leads to an undefined behavior of the calculation and no metadata can be written for xc." % (len(xc), xc))
-          else:
-              backend.superBackend.addValue('x_gaussian_xc', [xc][-1])
-              if xcWrite:
-              # get list of xc components according to parsed value
-                  xcList = xcDict.get([xc][-1])
-                  if xcList is not None:
-                    # loop over the xc components
-                      for xcItem in xcList:
-                          xcName = xcItem.get('name')
-                          if xcName is not None:
-                          # write section and XC_functional_name
-                              gIndexTmp = backend.openSection('section_XC_functionals')
-                              backend.addValue('XC_functional_name', xcName)
-                              # write hybrid_xc_coeff for PBE1PBE into XC_functional_parameters
-                              backend.closeSection('section_XC_functionals', gIndexTmp)
-                          else:
-                              logger.error("The dictionary for xc functional '%s' does not have the key 'name'. Please correct the dictionary xcDict in %s." % (xc[-1], os.path.basename(__file__)))
-                  else:
-                      logger.error("The xc functional '%s' could not be converted for the metadata. Please add it to the dictionary xcDict in %s." % (xc[-1], os.path.basename(__file__)))
-
-# Write electronic structure method to metadata
-
-        if method is not None:
-          # check if only one method keyword was found in output
-          if len([method]) > 1:
-              logger.error("Found %d settings for the method: %s. This leads to an undefined behavior of the calculation and no metadata can be written for the method." % (len(method), method))
-          else:
-              backend.superBackend.addValue('x_gaussian_method', [method][-1])
-          methodList = methodDict.get([method][-1])
-          if methodWrite:
-               if methodList is not None:
-        # loop over the method components
-                  for methodItem in methodList:
-                        methodName = methodItem.get('name')
-                        if methodName is not None:
-                 # write section and method name
-                           if methodprefix != None and methodreal != None:
-                              gIndexTmp = backend.openSection('x_gaussian_section_elstruc_method')
-                              backend.addValue('x_gaussian_electronic_structure_method', str(methodprefix) + methodreal)
-                              backend.closeSection('x_gaussian_section_elstruc_method', gIndexTmp)
-                           elif methodreal != None:
-                              gIndexTmp = backend.openSection('x_gaussian_section_elstruc_method')
-                              backend.addValue('x_gaussian_electronic_structure_method', methodreal)
-                              backend.closeSection('x_gaussian_section_elstruc_method', gIndexTmp)
-                        else:
-                              logger.error("The dictionary for method '%s' does not have the key 'name'. Please correct the dictionary methodDict in %s." % (method[-1], os.path.basename(__file__)))
-               else:
-                      logger.error("The method '%s' could not be converted for the metadata. Please add it to the dictionary methodDict in %s." % (method[-1], os.path.basename(__file__)))
-
-#Write basis sets to metadata
-
-        if basisset is not None:
-          # check if only one method keyword was found in output
-          if len([basisset]) > 1:
-              logger.error("Found %d settings for the basis set: %s. This leads to an undefined behavior of the calculation and no metadata can be written for the basis set." % (len(method), method))
-          else:
-              backend.superBackend.addValue('basis_set', basisset)
-          basissetList = basissetDict.get([basisset][-1])
-          if basissetWrite:
-               if basissetList is not None:
-        # loop over the basis set components
-                  for basissetItem in basissetList:
-                        basissetName = basissetItem.get('name')
-                        if basissetName is not None:
-                 # write section and basis set name(s)
-                           gIndexTmp = backend.openSection('section_basis_set_atom_centered')
-                           backend.addValue('basis_set_atom_centered_short_name', basissetreal)
-                           backend.closeSection('section_basis_set_atom_centered', gIndexTmp)
-                        else:
-                              logger.error("The dictionary for basis set '%s' does not have the key 'name'. Please correct the dictionary basissetDict in %s." % (basisset[-1], os.path.basename(__file__)))
-               else:
-                      logger.error("The basis set '%s' could not be converted for the metadata. Please add it to the dictionary basissetDict in %s." % (basisset[-1], os.path.basename(__file__)))
-
-      def onOpen_section_system(self, backend, gIndex, section):
-          # keep track of the latest system description section
-          self.secSystemDescriptionIndex = gIndex
-
-      def onClose_x_gaussian_section_hybrid_coeffs(self, backend, gIndex, section):
-          # assign the coefficients to the hybrid functionals
-
-          hybrid_xc_coeffsa = ()
-          hybrid_xc_coeffsb = ()
-          if(str(section['hybrid_xc_coeff1']) != 'None'):
-             hybrid_xc_coeffsa = float(str(section['hybrid_xc_coeff1']).replace("[","").replace("]",""))
-          else:
-             hybrid_xc_coeffsa = 0.0
-          backend.addValue('x_gaussian_hybrid_xc_hfx', hybrid_xc_coeffsa)
-          hybrid_xc_coeffs = str(section['hybrid_xc_coeff2'])
-          hybrid_xc_coeffsb = [float(f) for f in hybrid_xc_coeffs[1:].replace("'","").replace("]","").replace("]","").split()]
-          backend.addValue('x_gaussian_hybrid_xc_slater', hybrid_xc_coeffsb[0])
-          backend.addValue('x_gaussian_hybrid_xc_nonlocalex', hybrid_xc_coeffsb[1])
-          backend.addValue('x_gaussian_hybrid_xc_localcorr', hybrid_xc_coeffsb[2])
-          backend.addValue('x_gaussian_hybrid_xc_nonlocalcorr', hybrid_xc_coeffsb[3])
-
-      def onClose_section_system(self, backend, gIndex, section):
-            # write/store unit cell if present and set flag self.periodicCalc
-            if(section['x_gaussian_geometry_lattice_vector_x']):
-              unit_cell = []
-              for i in ['x', 'y', 'z']:
-                  uci = str(section['x_gaussian_geometry_lattice_vector_' + i])
-                  uci = uci.split()
-                  for i in range(len(uci)):
-                    uci[i] = str(uci[i]).replace("[","").replace("'","").replace("]","").replace("\"","").replace(",","")
-                    if uci[i] is not None:
-                       uci[i] = float(uci[i])
-                  if uci is not None:
-                     uci = convert_unit(uci, "angstrom", "m")
-                     unit_cell.append(uci)
-              if unit_cell:
-                  # from metadata: "The first index is x,y,z and the second index the lattice vector."
-                  # => unit_cell has already the right format
-                  backend.addArrayValues('simulation_cell', np.asarray(unit_cell))
-                  if np.shape(unit_cell) == (3, 1):
-                    backend.addArrayValues('configuration_periodic_dimensions', np.asarray([True, False, False]))
-                  if np.shape(unit_cell) == (3, 2):
-                    backend.addArrayValues('configuration_periodic_dimensions', np.asarray([True, True, False]))
-                  if np.shape(unit_cell) == (3, 3):
-                    backend.addArrayValues('configuration_periodic_dimensions', np.asarray([True, True, True]))
-                  self.periodicCalc = True
-            else:
-              unit_cell = [[0.0,0.0,0.0],[0.0,0.0,0.0],[0.0,0.0,0.0]]
-              backend.addArrayValues('simulation_cell', np.asarray(unit_cell))
-              backend.addArrayValues('configuration_periodic_dimensions', np.asarray([False, False, False]))
-            if(section["x_gaussian_atomic_masses"]):
-               atomicmasses = str(section["x_gaussian_atomic_masses"])
-               atmass = []
-               mass = [float(f) for f in atomicmasses[1:].replace("'","").replace(",","").replace("]","").replace(" ."," 0.").replace(" -."," -0.").split()]
-               atmass = np.append(atmass, mass)
-               numberofatoms = len(atmass)
-               backend.addArrayValues("x_gaussian_masses", atmass)
-
-# which values to cache or forward (mapping meta name -> CachingLevel)
-
-cachingLevelForMetaName = {
-        "x_gaussian_atom_x_coord": CachingLevel.Cache,
-        "x_gaussian_atom_y_coord": CachingLevel.Cache,
-        "x_gaussian_atom_z_coord": CachingLevel.Cache,
-        "x_gaussian_atomic_number": CachingLevel.Cache,
-        "x_gaussian_section_geometry": CachingLevel.Forward,
-        "x_gaussian_atom_x_force": CachingLevel.Cache,
-        "x_gaussian_atom_y_force": CachingLevel.Cache,
-        "x_gaussian_atom_z_force": CachingLevel.Cache,
-        "x_gaussian_number_of_atoms": CachingLevel.ForwardAndCache,
-        "section_scf_iteration": CachingLevel.Forward,
-        "energy_total_scf_iteration": CachingLevel.ForwardAndCache,
-        "x_gaussian_delta_energy_total_scf_iteration": CachingLevel.ForwardAndCache,
-        "energy_total": CachingLevel.ForwardAndCache,
-        "x_gaussian_energy_error": CachingLevel.ForwardAndCache,
-        "x_gaussian_electronic_kinetic_energy": CachingLevel.ForwardAndCache,
-        "x_gaussian_energy_electrostatic": CachingLevel.ForwardAndCache,
-        "x_gaussian_section_frequencies": CachingLevel.Forward,
-        "x_gaussian_frequency_values": CachingLevel.Cache,
-        "x_gaussian_frequencies": CachingLevel.ForwardAndCache,
-        "x_gaussian_reduced_masses": CachingLevel.Cache,
-        "x_gaussian_red_masses": CachingLevel.ForwardAndCache,
-        "x_gaussian_normal_modes": CachingLevel.Cache,
-        "x_gaussian_normal_mode_values": CachingLevel.ForwardAndCache,
-        "x_gaussian_atomic_masses": CachingLevel.ForwardAndCache,
-        "x_gaussian_section_force_constant_matrix": CachingLevel.Forward,
-        "x_gaussian_force_constant_values": CachingLevel.ForwardAndCache,
-        "x_gaussian_force_constants": CachingLevel.Cache,
-        "section_eigenvalues": CachingLevel.Forward,
-        "eigenvalues_values": CachingLevel.ForwardAndCache,
-        "eigenvalues_occupation": CachingLevel.ForwardAndCache,
-        "x_gaussian_section_orbital_symmetries": CachingLevel.Forward,
-        "x_gaussian_alpha_occ_symmetry_values":CachingLevel.Cache,
-        "x_gaussian_alpha_vir_symmetry_values":CachingLevel.Cache,
-        "x_gaussian_beta_occ_symmetry_values":CachingLevel.Cache,
-        "x_gaussian_beta_vir_symmetry_values":CachingLevel.Cache,
-        "x_gaussian_alpha_symmetries": CachingLevel.ForwardAndCache,
-        "x_gaussian_beta_symmetries": CachingLevel.ForwardAndCache,
-        "x_gaussian_section_molecular_multipoles": CachingLevel.Forward,
-        "dipole_moment_x": CachingLevel.Cache,
-        "dipole_moment_y": CachingLevel.Cache,
-        "dipole_moment_z": CachingLevel.Cache,
-        "quadrupole_moment_xx": CachingLevel.Cache,
-        "quadrupole_moment_yy": CachingLevel.Cache,
-        "quadrupole_moment_zz": CachingLevel.Cache,
-        "quadrupole_moment_xy": CachingLevel.Cache,
-        "quadrupole_moment_xz": CachingLevel.Cache,
-        "quadrupole_moment_yz": CachingLevel.Cache,
-        "octapole_moment_xxx": CachingLevel.Cache,
-        "octapole_moment_yyy": CachingLevel.Cache,
-        "octapole_moment_zzz": CachingLevel.Cache,
-        "octapole_moment_xyy": CachingLevel.Cache,
-        "octapole_moment_xxy": CachingLevel.Cache,
-        "octapole_moment_xxz": CachingLevel.Cache,
-        "octapole_moment_xzz": CachingLevel.Cache,
-        "octapole_moment_yzz": CachingLevel.Cache,
-        "octapole_moment_yyz": CachingLevel.Cache,
-        "octapole_moment_xyz": CachingLevel.Cache,
-        "hexadecapole_moment_xxxx": CachingLevel.Cache,
-        "hexadecapole_moment_yyyy": CachingLevel.Cache,
-        "hexadecapole_moment_zzzz": CachingLevel.Cache,
-        "hexadecapole_moment_xxxy": CachingLevel.Cache,
-        "hexadecapole_moment_xxxz": CachingLevel.Cache,
-        "hexadecapole_moment_yyyx": CachingLevel.Cache,
-        "hexadecapole_moment_yyyz": CachingLevel.Cache,
-        "hexadecapole_moment_zzzx": CachingLevel.Cache,
-        "hexadecapole_moment_zzzy": CachingLevel.Cache,
-        "hexadecapole_moment_xxyy": CachingLevel.Cache,
-        "hexadecapole_moment_xxzz": CachingLevel.Cache,
-        "hexadecapole_moment_yyzz": CachingLevel.Cache,
-        "hexadecapole_moment_xxyz": CachingLevel.Cache,
-        "hexadecapole_moment_yyxz": CachingLevel.Cache,
-        "hexadecapole_moment_zzxy": CachingLevel.Cache,
-        "x_gaussian_molecular_multipole_values": CachingLevel.ForwardAndCache,
-        "single_configuration_calculation_converged": CachingLevel.ForwardAndCache,
-        "x_gaussian_single_configuration_calculation_converged": CachingLevel.ForwardAndCache,
-        "x_gaussian_section_geometry_optimization_info": CachingLevel.Forward,
-        "x_gaussian_geometry_optimization_converged": CachingLevel.ForwardAndCache,
-        "x_gaussian_hf_detect": CachingLevel.ForwardAndCache,
-        "x_gaussian_section_hybrid_coeffs": CachingLevel.Forward,
-        "section_method": CachingLevel.Forward,
-        "x_gaussian_section_elstruc_method": CachingLevel.Forward,
-        "x_gaussian_electronic_structure_method": CachingLevel.ForwardAndCache,
-        "XC_functional_name": CachingLevel.ForwardAndCache,
-        "basis_set_atom_centered_short_name": CachingLevel.Forward,
-        "x_gaussian_settings": CachingLevel.Cache,
-        "x_gaussian_settings_corrected": CachingLevel.ForwardAndCache,
-        "section_system": CachingLevel.Forward,
-        "x_gaussian_atomic_masses": CachingLevel.ForwardAndCache,
-        "x_gaussian_masses": CachingLevel.ForwardAndCache,
-}
-
-if __name__ == "__main__":
-    mainFunction(mainFileDescription, metaInfoEnv, parserInfo,
-                 cachingLevelForMetaName = cachingLevelForMetaName,
-                 superContext = GaussianParserContext())