*$Revision: 7.8 $
*-------------------------------------------------------------------------------
* Molecule: C
* Basis: Primitive inline
* Symmetry: D2h
* Features tested: SEW,SCF,MOTRA,GUGA,MRCI,GENANO
* Responsible person: B. O. Roos 041227
* Comments: Test of GENANO
*-------------------------------------------------------------------------------
 &SEWARD &END
Title
 Carbon atom
Symmetry
x y z
Basis set
C..... / inline
  6.0 2
   10   10
5240.6353 782.20479 178.35083 50.815942 16.823562 6.1757760 2.4180490
.51190000 .15659000 .05480600
1. 0. 0. 0. 0. 0. 0. 0. 0. 0.
0. 1. 0. 0. 0. 0. 0. 0. 0. 0.
0. 0. 1. 0. 0. 0. 0. 0. 0. 0.
0. 0. 0. 1. 0. 0. 0. 0. 0. 0.
0. 0. 0. 0. 1. 0. 0. 0. 0. 0.
0. 0. 0. 0. 0. 1. 0. 0. 0. 0.
0. 0. 0. 0. 0. 0. 1. 0. 0. 0.
0. 0. 0. 0. 0. 0. 0. 1. 0. 0.
0. 0. 0. 0. 0. 0. 0. 0. 1. 0.
0. 0. 0. 0. 0. 0. 0. 0. 0. 1.
    6    6
18.841800 4.1592400 1.2067100 .38554000 .12194000 .04267900
1. 0. 0. 0. 0. 0.
0. 1. 0. 0. 0. 0.
0. 0. 1. 0. 0. 0.
0. 0. 0. 1. 0. 0.
0. 0. 0. 0. 1. 0.
0. 0. 0. 0. 0. 1.
    3    3
1.2838000 .34400000 .09220000
1. 0. 0.
0. 1. 0.
0. 0. 1.
C  0.000000  0.000000  0.000000
End of basis
End of input
*-----------------------------------------------------------------------
 &SCF &END
Title
 Carbon atom, start orbitals
ITERATIONS
 20, 20
Occupied
 2 0 0 0 0 0 0 0
End of input
*-----------------------------------------------------------------------
 &RASSCF &END
Title
 Carbon atom.
Symmetry
 4
Spin
 3
nActEl
 2 0 0
Frozen
 0 0 0 0 0 0 0 0
Inactive
 2 0 0 0 0 0 0 0
Ras2
 0 1 1 0 0 0 0 0
LevShft
 0.00
LumOrb
Thrs
 0.1d-8 0.1d-4 0.1d-4
End of input
*-----------------------------------------------------------------------
 &MOTRA &END
Title
 Carbon atom.
LumOrb
End of input
*-----------------------------------------------------------------------
 &GUGA &END
Title
 Carbon atom.
Electrons
    4
Spin
    3
Symmetry
    8
Inactive
    1    0    0    0    0    0    0    0
Active
    0    1    1    0    0    0    0    0
CiAll
    4
End of Input
*-----------------------------------------------------------------------
 &MRCI &END
Title
 Carbon atom
SDCI
End of input
*-----------------------------------------------------------------------
>>RM $Project.OrdInt
*-----------------------------------------------------------------------
>>LINK -force $Project.RunFile RUN001
>>LINK -force  $Project.RunFile RUN002
>>LINK -force  $Project.OneInt  ONE001
>>LINK -force  $Project.OneInt  ONE002
>>LINK -force  $Project.RasOrb  NAT001
>>LINK -force  $Project.CiOrb   NAT002
 &GENANO &END
Title
 Carbon atom
Project
sets
 2
Center
C
Weights
 0.5 0.5
end of input
!rm -f ONE* NAT*
*-----------------------------------------------------------------------