%chk=000060036.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060036

0 1
 S   -2.122000     -0.9843000       1.015900    
 S   -4.955100     -0.3781000      0.3893000    
 O    6.478300     -0.5152000      0.4637000    
 N   -3.804700      -2.854000     -2.0199999E-02
 N   0.9815000     -0.8733000     -0.3093000    
 N   0.2536000       1.375100      6.5000001E-03
 C   -5.049000      -3.418300     -0.5489000    
 C   -2.692300      -3.808500      8.3999997E-03
 C   -3.705800      -1.515800      0.4095000    
 C   -1.402100     -0.4034000     -0.5384000    
 C   1.1500000E-02  0.1211000     -0.2669000    
 C   -5.162300      -3.207400      -2.044600    
 C   -2.616600      -4.532800       1.336500    
 C    2.376800     -0.7826000     -0.1136000    
 C  -0.7665000       2.335800      4.1999999E-02
 C    3.053200      0.3905000     -0.4485000    
 C    3.078800      -1.865700      0.4152000    
 C    5.133500     -0.6027000      0.2741000    
 C    4.431500      0.4804000     -0.2547000    
 C    4.457200      -1.775900      0.6090000    
 C   -2.795200       4.249400      0.1138000    
 C   -1.443600       2.590100       1.234800    
 C   -1.103900       3.038200      -1.114900    
 C   -2.457800       3.546900       1.270700    
 C   -2.118200       3.995000      -1.079000    
 C   -3.879600       5.272300      0.1523000    
 C    7.205900      0.3305000     -0.4258000    
 C    8.613000     -0.2070000     -0.5768000    
 H   -5.090000      -4.488200     -0.3139000    
 H   -5.911100      -2.966900     -4.8999999E-02
 H   -1.741100      -3.311400     -0.1935000    
 H   -2.822500      -4.533900     -0.8035000    
 H   -2.033000      0.3616000     -0.9950000    
 H   -1.344200      -1.232400      -1.251800    
 H   -6.098800      -3.633700      -2.417700    
 H   -4.336000      -3.691300      -2.575800    
 H   -5.145100      -2.145700      -2.308600    
 H   -1.782000      -5.240900       1.335200    
 H   -3.535500      -5.094800       1.533200    
 H   -2.471000      -3.839600       2.170400    
 H   0.6555000      -1.834800     -0.3769000    
 H    2.548400       1.243000     -0.8912000    
 H    2.563300      -2.785000      0.6814000    
 H    4.916400       1.418000     -0.5098000    
 H    4.998800      -2.622800       1.021400    
 H   -1.183700       2.054000       2.143700    
 H  -0.5814000       2.847200      -2.048600    
 H   -2.976000       3.737900       2.206700    
 H   -2.370700       4.536800      -1.986600    
 H   -3.463300       6.251800      0.4079000    
 H   -4.386200       5.348200     -0.8159000    
 H   -4.642900       5.010700      0.8930000    
 H    7.238900       1.344400     -1.2100000E-02
 H    6.754900      0.3557000      -1.425700    
 H    9.204100      0.4248000      -1.245700    
 H    8.595800      -1.226300     -0.9769000    
 H    9.113500     -0.2559000      0.3959000    


%chk=000060036-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060036

0 1
S -2.811486 -0.760447 -0.093813
S -1.923000 -2.625110 -2.475938
O 5.912314 -1.316139 -0.936466
N -3.218476 -3.436338 -0.211459
N 0.351946 -0.344327 -1.396447
N -0.024081 1.805041 -0.473607
C -3.211779 -4.832690 -0.738905
C -3.857340 -3.260227 1.124401
C -2.664090 -2.417526 -0.932343
C -1.953419 0.412209 -1.316672
C -0.485795 0.687510 -0.999054
C -1.945473 -5.605304 -0.319021
C -5.367613 -2.957754 1.028323
C 1.754038 -0.496495 -1.239438
C -0.832320 2.827955 0.070954
C 2.599205 0.471624 -0.639187
C 2.330026 -1.708246 -1.723245
C 4.547804 -0.976929 -1.002643
C 3.986494 0.229767 -0.520816
C 3.707416 -1.946103 -1.607262
C -2.308712 5.013647 1.227861
C -1.812328 2.599265 1.080885
C -0.588524 4.173361 -0.331220
C -2.531154 3.677247 1.643258
C -1.321493 5.236341 0.229069
C -3.067893 6.174590 1.847974
C 6.828062 -0.337203 -0.323548
C 8.227509 -0.945007 -0.379645
H -4.122394 -5.328108 -0.354407
H -3.279236 -4.781921 -1.838240
H -3.333445 -2.456431 1.671056
H -3.685478 -4.196057 1.686500
H -2.546690 1.335871 -1.257107
H -2.073889 -0.064183 -2.307349
H -1.990460 -6.638392 -0.708309
H -1.845432 -5.657313 0.780387
H -1.046723 -5.117945 -0.732425
H -5.796853 -2.863521 2.042166
H -5.905597 -3.767180 0.502988
H -5.544528 -2.012548 0.488161
H -0.134911 -1.135401 -1.848177
H 2.156081 1.401432 -0.278563
H 1.688240 -2.464930 -2.191652
H 4.611449 0.995966 -0.052261
H 4.154805 -2.873571 -1.977365
H -1.978041 1.579467 1.448953
H 0.179454 4.357295 -1.089940
H -3.274590 3.473857 2.424415
H -1.122175 6.261323 -0.109315
H -2.429039 6.745600 2.550059
H -3.419206 6.886355 1.078177
H -3.949474 5.825199 2.413474
H 6.516560 -0.142323 0.723903
H 6.781314 0.617842 -0.887294
H 8.962220 -0.251757 0.069104
H 8.523908 -1.142596 -1.423983
H 8.259493 -1.897944 0.175747


