%chk=000123770.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000123770

0 1
 S    5.799500      0.5725000      0.6162000    
 S   -5.802500     -0.5650000      0.6150000    
 O    3.309500      -2.042000     -0.4297000    
 O   -3.303900       2.045400     -0.4210000    
 O    3.115100     -0.2612000      -1.821500    
 O   -3.116700      0.2701000      -1.820700    
 N    1.717500      0.7206000      0.5701000    
 N   -1.713300     -0.7306000      0.5657000    
 C   0.6957000     -0.3206000      0.5788000    
 C  -0.6949000      0.3071000      0.5750000    
 C    3.051700      0.1382000      0.5630000    
 C   -3.053200     -0.1401000      0.5619000    
 C    4.106800       1.245000      0.6099000    
 C   -4.112100      -1.243300      0.6046000    
 C    3.170500     -0.7165000     -0.6849000    
 C   -3.169800      0.7205000     -0.6822000    
 H   0.7656000     -0.9659000     -0.3045000    
 H   0.8103000     -0.9536000       1.468200    
 H  -0.8107000      0.9440000       1.461500    
 H  -0.7601000      0.9497000     -0.3106000    
 H    3.176400     -0.5011000       1.447500    
 H   -3.171600      0.4952000       1.450000    
 H    1.604800       1.319300       1.387900    
 H   -1.604500      -1.329400       1.383900    
 H    4.020000       1.909100     -0.2576000    
 H    3.985400       1.856300       1.510900    
 H   -4.028500      -1.902400     -0.2668000    
 H   -3.991700      -1.859500       1.502400    
 H    6.431800       1.754300      0.6610000    
 H   -5.690600      0.1104000       1.768200    
 H    3.366400      -2.569400      -1.254800    
 H   -3.359500       2.576600      -1.243700    


%chk=000123770-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000123770

0 1
S 5.816589 0.189055 1.803884
S -5.495009 0.247441 1.698217
O 3.403382 -0.490234 -1.678116
O -4.569376 -0.141773 -1.811415
O 4.391363 1.517172 -1.045920
O -3.985799 -2.200009 -0.903599
N 1.787009 0.605386 0.752979
N -1.703371 -0.604472 -0.000954
C 0.731672 -0.182336 0.079776
C -0.648625 0.170917 0.675951
C 3.187962 0.140849 0.655914
C -3.097281 -0.143398 0.122409
C 4.023167 0.792106 1.770105
C -3.691546 -0.328597 1.546949
C 3.765922 0.475803 -0.731753
C -3.918647 -0.951030 -0.885515
H 0.693106 -0.044437 -1.022005
H 0.948459 -1.253526 0.257795
H -0.599406 0.023658 1.778653
H -0.857098 1.246780 0.503091
H 3.196335 -0.955981 0.775891
H -3.146498 0.923154 -0.161960
H 1.698660 1.619070 0.600179
H -1.618004 -1.624085 0.096610
H 4.031861 1.890101 1.673390
H 3.598723 0.515355 2.746775
H -3.723770 -1.399494 1.809699
H -3.083579 0.213387 2.289359
H 6.238592 0.950476 0.726118
H -5.257084 1.554529 1.300894
H 3.721909 -0.212782 -2.580731
H -5.096218 -0.709384 -2.438970


