%chk=000087040.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087040

0 1
 S   -5.169100     -0.3443000     -0.4479000    
 O    8.801500     -1.9000000E-03  -1.111200    
 N    2.630400      0.5959000      0.6578000    
 N    5.229300     -0.2851000     -0.2523000    
 N   -2.287900      6.8800002E-02  0.6365000    
 N   -4.894000       2.242800     -0.8944000    
 C    3.834600      0.8069000       1.470600    
 C    2.779900     -0.6009000     -0.1792000    
 C    5.080300      0.9121000      0.5841000    
 C    4.025400     -0.4944000      -1.065900    
 C    1.444000      0.4918000       1.505000    
 C   0.1627000      0.3372000      0.6798000    
 C    6.416400     -0.1828000      -1.098500    
 C   -1.121600      0.2715000       1.505500    
 C    7.673700     -8.2000002E-02 -0.2496000    
 C   -2.631000      -1.265500      0.3015000    
 C   -2.939400       1.220600      0.1411000    
 C   -3.902300      -1.576800     -0.2210000    
 C   -4.230100       1.164500     -0.3979000    
 C   -1.716000      -2.332000      0.4387000    
 C   -2.330400       2.489200      0.1205000    
 C   -4.237500      -2.899900     -0.5587000    
 C   -2.052900      -3.644600      9.7000003E-02
 C   -3.316000      -3.929400     -0.3991000    
 C   -2.988000       3.606600     -0.3857000    
 C   -4.261900       3.431800     -0.8766000    
 H    3.737600       1.738900       2.040900    
 H    3.965200     -7.8999996E-03   2.195900    
 H    2.834800      -1.510200      0.4343000    
 H    1.945800     -0.7165000     -0.8766000    
 H    5.023000       1.819900     -3.1500001E-02
 H    5.919600       1.030900       1.275200    
 H    4.122100      -1.425600      -1.637500    
 H    3.895700      0.3217000      -1.790000    
 H    1.350100       1.402300       2.110200    
 H    1.530800     -0.3516000       2.202700    
 H   0.1145000       1.167700     -3.3900000E-02
 H   0.2173000     -0.5537000      5.5000000E-02
 H    6.504000      -1.072000      -1.736400    
 H    6.357900      0.6746000      -1.782500    
 H   -1.229600       1.176700       2.117300    
 H   -1.050600     -0.5272000       2.256000    
 H    7.705800      0.8197000      0.3655000    
 H    7.789800     -0.9606000      0.3938000    
 H  -0.7198000      -2.200000      0.8466000    
 H   -1.330900       2.659800      0.5068000    
 H    9.591300      4.3900002E-02 -0.5457000    
 H   -5.223100      -3.142800     -0.9510000    
 H   -1.326900      -4.442000      0.2272000    
 H   -3.583800      -4.948100     -0.6625000    
 H   -2.512100       4.580400     -0.3906000    
 H   -4.825600       4.264700      -1.282100    


%chk=000087040-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000087040

0 1
S -5.462332 -0.241843 -0.068983
O 9.102914 0.180815 -0.947339
N 2.688117 0.443525 0.608755
N 5.424982 0.043460 -0.291760
N -2.381874 0.047792 0.636434
N -4.990907 2.266592 -0.901548
C 3.841323 0.601388 1.532343
C 3.017718 -0.538647 -0.456506
C 5.095518 1.037473 0.759745
C 4.278351 -0.102488 -1.221493
C 1.443783 0.119736 1.342676
C 0.180284 0.183905 0.458017
C 6.706310 0.326088 -0.981799
C -1.093427 0.231689 1.345000
C 7.904805 -0.189995 -0.173728
C -2.847745 -1.287414 0.416418
C -2.997564 1.186336 0.053532
C -4.192341 -1.560740 0.034077
C -4.369059 1.202876 -0.360556
C -1.976962 -2.401017 0.587520
C -2.296800 2.413345 -0.119298
C -4.628493 -2.880688 -0.199122
C -2.428049 -3.724763 0.394543
C -3.755085 -3.975005 -0.009630
C -2.950347 3.543866 -0.660468
C -4.297608 3.434931 -1.049572
H 3.586645 1.370941 2.285526
H 4.067493 -0.353043 2.072613
H 3.191238 -1.558460 -0.026525
H 2.174091 -0.602131 -1.166376
H 4.912933 2.049433 0.316783
H 5.943776 1.122386 1.463019
H 4.528618 -0.870148 -1.976671
H 4.056000 0.854214 -1.758340
H 1.344952 0.863789 2.159464
H 1.499677 -0.889486 1.834327
H 0.249876 1.079835 -0.184674
H 0.126127 -0.686944 -0.219673
H 6.707379 -0.191630 -1.958167
H 6.851589 1.413488 -1.188522
H -1.135187 1.198289 1.880854
H -1.028998 -0.549754 2.124827
H 7.928846 0.274790 0.834891
H 7.818600 -1.289166 -0.053669
H -0.933698 -2.245703 0.870422
H -1.245264 2.496443 0.160454
H 9.909939 -0.167789 -0.493144
H -5.664962 -3.049759 -0.510972
H -1.730204 -4.554574 0.549534
H -4.110356 -4.996864 -0.174635
H -2.410866 4.488050 -0.782339
H -4.850759 4.275672 -1.479063


