%chk=000165080.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000165080

1 1
 S    4.218600      0.3756000       1.502700    
 O  -0.7491000      0.5906000      0.6873000    
 N   -5.442000      0.9938000     -3.8000001E-03
 N  -0.9477000      -2.052000     -0.3927000    
 C   -4.377100      0.2819000     -9.2200004E-02
 C   0.2821000      -1.517200      4.1400000E-02
 C    1.463300      -2.297400     -5.2600000E-02
 C   -1.962200      7.6099999E-02  0.2641000    
 C   0.3552000     -0.2193000      0.5675000    
 C   -2.000900      -1.302800     -0.2878000    
 C    2.694300      -1.746800      0.3883000    
 C   -3.074200      0.8134000      0.3539000    
 C   -5.410500       2.373300      0.5467000    
 C   -6.761600      0.4756000     -0.4476000    
 C    2.727900     -0.4452000      0.9085000    
 C   -4.427100      -1.085700     -0.6415000    
 C    1.566100      0.3155000      0.9983000    
 C   -3.316500      -1.820600     -0.7307000    
 C    1.473100      -3.611100     -0.5699000    
 C    3.871900      -2.507700      0.3014000    
 C   -5.138200       3.352600     -0.5748000    
 C   -7.431800     -0.2379000      0.7069000    
 C    2.652700      -4.353700     -0.6491000    
 C    3.850900      -3.802200     -0.2139000    
 C    4.272300       1.787500      0.4152000    
 C    4.361900       1.602100     -0.9641000    
 C    4.224100       3.076700      0.9446000    
 C    4.403500       2.706900      -1.814700    
 C    4.265600       4.181500      9.4099998E-02
 C    4.355300       3.996500      -1.285600    
 H   -2.964700       1.816700      0.7445000    
 H   -6.401000       2.578500      0.9712000    
 H   -4.719700       2.457500       1.389100    
 H   -7.370800       1.339300     -0.7407000    
 H   -6.674200     -0.1298000      -1.353100    
 H   -5.346900      -1.554500     -0.9643000    
 H    1.573100       1.322200       1.410900    
 H   -3.352300      -2.830700      -1.125400    
 H   0.5549000      -4.078000     -0.9210000    
 H    4.837600      -2.129800      0.6252000    
 H   -4.160600       3.186100      -1.039200    
 H   -5.895300       3.286100      -1.364100    
 H   -5.152100       4.376800     -0.1881000    
 H   -8.422800     -0.5909000      0.4032000    
 H   -7.565900      0.4239000       1.569800    
 H   -6.857900      -1.107700       1.043200    
 H    2.632200      -5.362400      -1.051400    
 H    4.769400      -4.378600     -0.2752000    
 H    4.407400      0.6067000      -1.399100    
 H    4.153300       3.240400       2.017100    
 H    4.474700       2.563100      -2.888800    
 H    4.227900       5.185800      0.5058000    
 H    4.387900       4.856600      -1.947800    


%chk=000165080-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000165080

1 1
S 4.597316 0.128399 -0.124677
O -0.592900 0.476620 -0.088172
N -5.404594 1.041640 -0.097119
N -0.922996 -2.362031 -0.044878
C -4.298048 0.227866 -0.078639
C 0.325529 -1.800785 -0.065307
C 1.513282 -2.644945 -0.068802
C -1.880336 -0.084643 -0.071506
C 0.518862 -0.375178 -0.085219
C -2.001903 -1.528740 -0.048931
C 2.823239 -2.038966 -0.088982
C -2.967800 0.775523 -0.090069
C -5.292643 2.525583 -0.047847
C -6.792188 0.503721 -0.178929
C 2.930627 -0.584910 -0.103075
C -4.440174 -1.221666 -0.044845
C 1.782350 0.228274 -0.101936
C -3.336751 -2.057844 -0.032867
C 1.391847 -4.062306 -0.053882
C 3.971168 -2.889660 -0.093413
C -5.100299 3.159174 -1.443550
C -7.394601 0.175746 1.204220
C 2.535609 -4.873261 -0.059436
C 3.831059 -4.283527 -0.079416
C 4.282207 1.950843 -0.099809
C 4.214436 2.655203 -1.323088
C 4.219426 2.621113 1.142790
C 4.066653 4.061806 -1.296665
C 4.071132 4.027638 1.155991
C 3.994857 4.746112 -0.060492
H -2.781115 1.849700 -0.131626
H -6.221742 2.905903 0.411609
H -4.470897 2.808570 0.632826
H -7.405243 1.272769 -0.680929
H -6.807307 -0.380703 -0.838316
H -5.435639 -1.668176 -0.013730
H 1.853422 1.318824 -0.113982
H -3.448148 -3.145422 -0.004676
H 0.388396 -4.495710 -0.038616
H 4.974778 -2.452813 -0.107725
H -4.171367 2.809015 -1.925428
H -5.944370 2.913808 -2.111613
H -5.049138 4.258229 -1.351319
H -8.431679 -0.183603 1.083727
H -7.419537 1.069558 1.852184
H -6.817203 -0.606956 1.725984
H 2.433807 -5.962921 -0.048402
H 4.720455 -4.921090 -0.083492
H 4.286779 2.120111 -2.275168
H 4.296096 2.059980 2.079412
H 4.020033 4.617926 -2.238452
H 4.027864 4.557387 2.113025
H 3.891491 5.836115 -0.045040


