diff --git a/parser/parser-molcas/functionals.py b/parser/parser-molcas/functionals.py
new file mode 100644
index 0000000000000000000000000000000000000000..b8a69b443929937cca47ee35437d4071d05f2f54
--- /dev/null
+++ b/parser/parser-molcas/functionals.py
@@ -0,0 +1,41 @@
+functionals = {'LSDA': ['LDA_X', 'LDA_C_VWN_3'],
+               'LDA': ['LDA_X', 'LDA_C_VWN_3'],
+               'SVWN': ['LDA_X', 'LDA_C_VWN_3'],
+               'LSDA5': ['LDA_X', 'LDA_C_VWN'],
+               'LDA5': ['LDA_X', 'LDA_C_VWN'],
+               'SVWN5': ['LDA_X', 'LDA_C_VWN'],
+               'HFB': ['GGA_X_B88'], #['GGA_X_B88' + Becke’s 1988 exchange functional which includes the Slater exchange along with corrections involving the gradient of the density],
+               'HFS': ['LDA_X'],  # Original HK/KS articles?  No libxc name...
+               'HFB86': ['GGA_X_B86'],
+               'HFO': ['GGA_X_OPTX'],
+               'BLYP': ['GGA_X_B88', 'GGA_C_LYP'],
+               'BPBE': ['GGA_X_B88', 'GGA_C_PBE'],
+               'B3LYP': ['HYB_GGA_XC_B3LYP'],
+               'B3LYP5': ['HYB_GGA_XC_B3LYP5'],
+               #'B2PLYP': {'LDA_X': 0.47,
+               #           'HF_X': 1. - 0.47,
+               #           'GGA_X_B88': 0.47,
+               #           },  # No clue how to set this one
+               'B86LYP': ['GGA_X_B86', 'GGA_C_LYP'],
+               'BWIG': ['GGA_X_B88', 'LDA_C_WIGNER'],
+               'GLYP': ['GGA_X_G96', 'GGA_C_LYP'],
+               'OLYP': ['GGA_X_OPT', 'GGA_C_LYP'],
+               'OPBE': ['GGA_X_OPT', 'GGA_C_PBE'],
+               'O3LYP': ['HYB_GGA_XC_O3LYP'],  # Or hideous composite thingy?
+               #'O3LYP': {'HF_X': 0.1161,
+               #          'LDA_X': 0.9262,
+               #          'GGA_X_OPT': 0.8133,
+               #          'GGA_C_VWN': 0.19,
+               #          'GGA_C_LYP': 0.81}, ?
+               #'KT3': ['GGA_X_KT...3'], TODO add to nomad xc functionals
+               'TLYP': ['HF_X', 'GGA_C_LYP'],
+               'PBE': ['GGA_X_PBE', 'GGA_C_PBE'],
+               'PBE0': None,  # wtf
+               'PBESOL': ['GGA_X_PBE_SOL', 'GGA_C_PBE_SOL'],
+               'RGE2': ['GGA_X_RGE2', 'GGA_C_PBE_SOL'],
+               'PTCA': ['GGA_X_PBE', 'GGA_C_TCA'],
+               'SSB': ['GGA_X_SSB', 'GGA_C_PBE'],
+               'M06': ['HYB_MGGA_XC_M06'],
+               'M06L': ['MGGA_C_M06_L', 'MGGA_X_M06_L'],
+               'M06HF': ['HYB_MGGA_XC_M06_HF'],  # Is this good enough?
+               'M062X': ['HYB_MGGA_XC_M06_2X']}