%nprocs=4
#P RHF/6-31G** scf=direct test prop=fit
 
Gaussian Test Job 178:
TATB rhf/6-31g**//hf/6-31g**
Energy with tight cutoffs would be -1006.2213391, is -1006.2213170 with
default cutoffs
 
0,1
X
C,1,RC1
C,1,RC2,2,60.
C,1,RC1,3,60.,2,180.,0
C,1,RC2,4,60.,3,180.,0
C,1,RC1,5,60.,4,180.,0
C,1,RC2,6,60.,5,180.,0
X,2,1.,1,90.,3,0.,0
X,3,1.,1,90.,4,0.,0
X,4,1.,1,90.,5,0.,0
X,5,1.,1,90.,6,0.,0
X,6,1.,1,90.,7,0.,0
X,7,1.,1,90.,2,0.,0
N,2,RCN1,8,90.,1,180.,0
O,14,RNO,2,A1,8,0.,0
O,14,RNO,2,A1,8,180.,0
N,4,RCN1,10,90.,1,180.,0
O,17,RNO,4,A1,10,0.,0
O,17,RNO,4,A1,10,180.,0
N,6,RCN1,12,90.,1,180.,0
O,20,RNO,6,A1,12,0.,0
O,20,RNO,6,A1,12,180.,0
N,3,RCN2,9,90.,1,180.,0
H,23,RNH,3,A2,9,0.,0
H,23,RNH,3,A2,9,180.,0
N,5,RCN2,11,90.,1,180.,0
H,26,RNH,5,A2,11,0.,0
H,26,RNH,5,A2,11,180.,0
N,7,RCN2,13,90.,1,180.,0
H,29,RNH,7,A2,13,0.,0
H,29,RNH,7,A2,13,180.,0
 
RC1=1.431682
RC2=1.451892
RCN1=1.431748
RNO=1.205098
A1=120.501393
RCN2=1.312086
RNH=0.990828
A2=118.920716