%chk=000054868.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054868

0 1
 S  -0.5492000      -1.154100       1.578100    
 O   -3.319800      -1.808600      0.5868000    
 N  -0.5854000       2.859400      0.6175000    
 C   0.6843000       1.044400     -0.3985000    
 C    1.917700      0.1534000     -0.2469000    
 C  -0.6572000      0.4039000     -0.7305000    
 C   0.5667000       2.034200      0.7753000    
 C    1.971800      -1.148700      0.2950000    
 C   -1.325500     -0.4948000      0.1172000    
 C   0.7991000      -1.994300      0.7303000    
 C    3.138000      0.7538000     -0.6540000    
 C   -1.309900      0.8038000      -1.914400    
 C    3.228600      -1.798800      0.3690000    
 C   -2.612500     -0.9535000     -0.2060000    
 C    4.363600      9.8200001E-02 -0.5564000    
 C   -2.584200      0.3353000      -2.237400    
 C    4.408800      -1.185300     -4.4199999E-02
 C   -3.238600     -0.5387000      -1.378800    
 C  -0.7379000       3.811400       1.724300    
 C   -4.158600      -1.221100       1.573600    
 H   0.9111000       1.666300      -1.279900    
 H    1.474200       2.651400      0.8200000    
 H   0.5240000       1.497800       1.729800    
 H   0.4170000      -2.545400     -0.1377000    
 H    1.144900      -2.751400       1.444100    
 H    3.137600       1.765800      -1.057500    
 H  -0.8339000       1.505300      -2.596400    
 H    3.293300      -2.814900      0.7559000    
 H  -0.5331000       3.377700     -0.2592000    
 H    5.274100      0.5922000     -0.8811000    
 H   -3.066800      0.6627000      -3.153400    
 H    5.354400      -1.713000      3.2299999E-02
 H   -4.233700     -0.8944000      -1.631700    
 H   0.1169000       4.492800       1.783100    
 H  -0.8506000       3.288200       2.679300    
 H   -1.640300       4.409300       1.564500    
 H   -4.556000      -2.019900       2.205900    
 H   -4.998600     -0.7045000       1.098300    
 H   -3.603100     -0.5213000       2.205800    


%chk=000054868-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054868

0 1
S -0.627393 -1.165842 1.555524
O -3.542480 -1.730597 0.523862
N -0.489862 3.006494 0.530671
C 0.651919 1.003961 -0.470687
C 1.913650 0.134162 -0.299224
C -0.701284 0.372604 -0.821876
C 0.527568 1.970721 0.763732
C 1.984907 -1.176063 0.262773
C -1.441301 -0.471061 0.052873
C 0.781434 -2.028197 0.613586
C 3.133408 0.765928 -0.669010
C -1.294523 0.737774 -2.057302
C 3.259060 -1.778850 0.452184
C -2.767495 -0.864153 -0.277929
C 4.390709 0.154683 -0.490866
C -2.593914 0.313538 -2.408193
C 4.456418 -1.133194 0.083625
C -3.341674 -0.471138 -1.509316
C -0.818428 3.832424 1.704357
C -3.946609 -1.224904 1.848036
H 0.885183 1.669365 -1.328814
H 1.546678 2.386788 0.965498
H 0.236148 1.386646 1.654472
H 0.297691 -2.441964 -0.287697
H 1.078483 -2.871095 1.259724
H 3.087892 1.769050 -1.112948
H -0.730404 1.377413 -2.746532
H 3.305081 -2.782386 0.893652
H -0.290183 3.570127 -0.305721
H 5.304703 0.677432 -0.793513
H -3.027534 0.608269 -3.369948
H 5.421320 -1.627376 0.241021
H -4.356607 -0.810545 -1.738097
H 0.051376 4.376389 2.149901
H -1.246228 3.190191 2.496592
H -1.585319 4.579063 1.430708
H -4.585530 -2.013192 2.274946
H -4.522066 -0.284339 1.744964
H -3.073596 -1.063526 2.507068


