%chk=000087818.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087818

0 1
 S    3.369300       4.244400       1.224800    
 O    1.351400     -0.2100000      -2.001200    
 O   -2.414400     -0.1127000      0.1005000    
 O    5.466400     -0.7145000      0.2343000    
 O    6.274700      0.9291000      -1.091600    
 O  -0.6087000      0.5131000       1.374400    
 N  -0.4606000      -1.185700     -0.1996000    
 N    2.934700     -0.2168000     -0.3025000    
 C    1.214900      -2.992300     -0.3639000    
 C   0.4047000      -4.025500      0.4452000    
 C   0.9252000      -1.527900     -1.0800000E-02
 C    1.742700     -0.5986000     -0.9026000    
 C   0.7095000      -3.866300       1.937300    
 C   0.6944000      -5.462900      1.0800000E-02
 C    3.871100      0.6995000     -0.9124000    
 C    3.545400       2.158200     -0.5629000    
 C    3.789700       2.505300      0.9075000    
 C    5.316700      0.3439000     -0.5980000    
 C   -1.112700     -0.1942000      0.5082000    
 C   -3.212600      0.8800000      0.7548000    
 C   -4.603900      0.8371000      0.1946000    
 C    1.581700       4.051800       1.406700    
 C   -4.936400       1.624200     -0.9080000    
 C   -5.564900      9.8000001E-03  0.7760000    
 C   -6.229700       1.584300      -1.429000    
 C   -6.858200     -3.0200001E-02  0.2548000    
 C   -7.190500      0.7571000     -0.8477000    
 H    2.288200      -3.187800     -0.2370000    
 H    1.007900      -3.151300      -1.431400    
 H  -0.6664000      -3.846600      0.2909000    
 H    1.186300      -1.323400       1.033400    
 H    1.785200      -3.926000       2.134800    
 H   0.2187000      -4.655800       2.517400    
 H   0.3389000      -2.913600       2.326900    
 H    1.748900      -5.717500      0.1617000    
 H   0.4621000      -5.598700      -1.050600    
 H   8.7399997E-02  -6.174300      0.5805000    
 H    3.768000      0.5756000      -1.998300    
 H  -0.9822000      -1.662800     -0.9292000    
 H    3.167600     -0.5851000      0.6152000    
 H    2.501600       2.357700     -0.8343000    
 H    4.167200       2.810800      -1.190500    
 H    4.848600       2.380700       1.154800    
 H    3.218800       1.856400       1.579100    
 H   -3.233300      0.6858000       1.834500    
 H   -2.771600       1.872200      0.5975000    
 H    6.411100     -0.9263000      0.3921000    
 H    1.144000       5.020600       1.662800    
 H    1.350400       3.348200       2.210700    
 H    1.126900       3.708800      0.4746000    
 H   -4.196000       2.271100      -1.371000    
 H   -5.317600     -0.6097000       1.634000    
 H   -6.488400       2.196700      -2.287800    
 H   -7.606300     -0.6748000      0.7070000    
 H   -8.197300      0.7256000      -1.253600    


%chk=000087818-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000087818

0 1
S 0.270415 3.610542 -1.148450
O 2.865226 -1.090427 -1.632572
O -1.729976 -0.412677 0.837806
O 3.673452 1.287502 2.491396
O 4.973152 2.701252 1.182989
O 0.272330 -0.444285 2.096744
N 0.047283 -1.626518 0.088315
N 2.701886 -0.092194 0.466449
C 1.519335 -3.458113 -0.733221
C 0.614184 -4.619233 -0.244381
C 1.427396 -2.164588 0.096056
C 2.405893 -1.080419 -0.447556
C 0.967612 -5.071186 1.193051
C 0.716846 -5.807630 -1.230004
C 3.505596 1.070615 0.071727
C 2.682615 2.100485 -0.778804
C 1.471147 2.671468 -0.023251
C 4.145648 1.769962 1.264041
C -0.409137 -0.807253 1.090805
C -2.366341 0.443114 1.904385
C -3.436903 1.290050 1.262858
C -0.459380 2.156750 -2.103402
C -3.102229 2.506495 0.613453
C -4.794783 0.886607 1.314474
C -4.109039 3.300138 0.021664
C -5.804165 1.680882 0.725658
C -5.462418 2.890317 0.077208
H 2.575862 -3.788879 -0.719859
H 1.299192 -3.215761 -1.791549
H -0.439835 -4.269000 -0.239921
H 1.684807 -2.359605 1.153333
H 2.025376 -5.393826 1.251852
H 0.337687 -5.926422 1.499659
H 0.814053 -4.265356 1.933855
H 1.751275 -6.200619 -1.262971
H 0.438374 -5.507028 -2.257393
H 0.051285 -6.635876 -0.924690
H 4.325309 0.714243 -0.581551
H -0.562527 -1.811258 -0.710158
H 2.245483 -0.104713 1.389864
H 2.360716 1.555286 -1.683139
H 3.355945 2.915302 -1.098064
H 1.774218 3.415733 0.733893
H 0.897140 1.875522 0.482670
H -2.784106 -0.247110 2.658515
H -1.565105 1.041679 2.371421
H 4.098057 1.790671 3.237576
H -1.255184 2.576875 -2.737983
H -0.898397 1.426248 -1.404655
H 0.304167 1.680879 -2.737881
H -2.057191 2.840329 0.563472
H -5.061632 -0.051594 1.816545
H -3.837278 4.238557 -0.473993
H -6.850848 1.360778 0.774517
H -6.243886 3.509991 -0.376904


