%chk=000085499.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085499

0 1
 S    3.028100      0.3553000      -1.697300    
 O    8.842900     -0.4603000      0.7265000    
 O    8.417100     -0.1103000      -1.398500    
 N   -5.520800      0.8867000     -0.4496000    
 N  -3.3500001E-02  0.2644000      0.4816000    
 N    2.528900      1.7400000E-02  0.8105000    
 N   0.6411000      0.3740000     -0.5867000    
 N    8.036200     -0.2577000     -0.2124000    
 N   -8.219500      -3.127700     -5.3900000E-02
 C   -4.139200      0.7248000     -0.2161000    
 C   -6.349200     -0.2576000     -0.7736000    
 C   -6.127500       2.201200     -0.3822000    
 C   -3.564000     -0.5443000     -0.2830000    
 C   -2.197700     -0.7037000     -5.2200001E-02
 C   -3.347900       1.834300      8.1900001E-02
 C   -6.723600      -1.032000      0.4858000    
 C   -1.411500      0.4064000      0.2447000    
 C   -6.399100       2.577600       1.061700    
 C   -1.981600       1.674800      0.3125000    
 C   -1.604200      -2.072400     -0.1275000    
 C    4.371400      9.2699997E-02 -0.6487000    
 C    3.905500     -6.7100003E-02  0.6598000    
 C   -7.559700      -2.203100      0.1829000    
 C    5.739000      3.2800000E-02 -0.9614000    
 C    1.971600      0.2370000     -0.3575000    
 C    4.843900     -0.2944000       1.690100    
 C    6.646500     -0.1935000      7.6700002E-02
 C    6.206900     -0.3551000       1.385900    
 H   -5.887800     -0.9001000      -1.534400    
 H   -7.277600      7.9899997E-02  -1.255100    
 H   -5.534400       2.965200     -0.8974000    
 H   -7.087100       2.203800     -0.9147000    
 H   -4.136200      -1.434900     -0.5181000    
 H   -3.731000       2.846400      0.1479000    
 H   -5.838500      -1.363200       1.038400    
 H   -7.276500     -0.3790000       1.170700    
 H   -7.118600       1.892700       1.520800    
 H   -5.499600       2.572500       1.683400    
 H   -6.829900       3.583300       1.109000    
 H   -1.372500       2.544600      0.5446000    
 H  -0.9463000      -2.153800     -0.9989000    
 H   -1.031200      -2.295800      0.7788000    
 H   -2.372700      -2.847700     -0.2179000    
 H    6.056500      0.1627000      -1.992100    
 H    4.510800     -0.4220000       2.716200    
 H    6.897200     -0.5318000       2.207400    


%chk=000085499-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000085499

0 1
S 3.188847 2.006262 -0.055409
O 9.103312 -0.611636 0.480270
O 8.665019 1.619282 0.279811
N -5.635061 0.731110 -0.579702
N -0.083627 -0.234989 -0.009029
N 2.722046 -0.664183 0.131273
N 0.734976 0.809255 -0.104558
N 8.287463 0.384124 0.356331
N -8.565568 -2.729347 1.356789
C -4.264423 0.518795 -0.419398
C -6.598669 -0.366124 -0.397475
C -6.180026 2.084743 -0.855915
C -3.733642 -0.792970 -0.176822
C -2.356838 -1.034467 -0.045436
C -3.331122 1.612153 -0.506749
C -6.857416 -0.700010 1.111202
C -1.443320 0.074618 -0.147750
C -6.366774 2.967601 0.400082
C -1.964245 1.388181 -0.378365
C -1.840937 -2.437337 0.198315
C 4.576144 0.870015 0.112981
C 4.102253 -0.493823 0.193989
C -7.797899 -1.820373 1.263927
C 5.943318 1.176781 0.164931
C 2.084295 0.496120 0.006266
C 5.041203 -1.552218 0.328305
C 6.838760 0.092759 0.299094
C 6.410067 -1.260387 0.381220
H -6.254150 -1.276345 -0.919945
H -7.553860 -0.074119 -0.864982
H -5.522214 2.591974 -1.584049
H -7.153063 1.952493 -1.361956
H -4.403332 -1.654613 -0.104830
H -3.685500 2.632658 -0.669901
H -5.903663 -0.954734 1.608841
H -7.265757 0.188035 1.626932
H -7.109711 2.533483 1.092377
H -5.418148 3.091572 0.950292
H -6.727284 3.969966 0.105751
H -1.251492 2.215799 -0.446603
H -1.128120 -2.737658 -0.588847
H -1.279360 -2.491877 1.147286
H -2.668177 -3.166679 0.230496
H 6.335799 2.194578 0.106790
H 4.672341 -2.579527 0.388477
H 7.162258 -2.045939 0.484292


