%chk=000126374.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126374

0 1
 S    2.793000      0.7519000     -0.5685000    
 O  -3.4299999E-02 -0.4480000       2.275600    
 N   -2.249400     -0.7604000      0.2196000    
 N   -5.100500     -0.1609000     -5.7200000E-02
 N   0.5757000       1.637000       1.583900    
 C   0.1065000     -0.1130000     -0.1142000    
 C  -0.9447000      -1.225000     -0.2473000    
 C   -2.698700      0.4004000     -0.5580000    
 C   -3.239900      -1.841700      0.1620000    
 C    1.441400     -0.4741000     -0.7963000    
 C   -4.070300      0.8851000     -7.1999997E-02
 C   -4.610600      -1.352800      0.6464000    
 C   0.2359000      0.3186000       1.348000    
 C    1.967800      -1.867200     -0.4769000    
 C   -5.584500     -0.4750000      -1.400000    
 C    1.903000       2.295200     -0.4171000    
 C    1.042600       2.591100      0.6542000    
 C    2.810500      -2.053900      0.6149000    
 C    1.602500      -2.944800      -1.278300    
 C    2.278900       3.325300      -1.295100    
 C   0.6371000       3.917800      0.8682000    
 C    3.292500      -3.329700      0.9078000    
 C    2.084500      -4.220600     -0.9852000    
 C    2.929500      -4.412900      0.1078000    
 C    1.820400       4.629300      -1.106100    
 C    1.011300       4.928300     -1.6100001E-02
 H  -0.2407000      0.7496000     -0.6883000    
 H  -0.6492000      -2.094400      0.3526000    
 H   -1.013700      -1.551100      -1.293200    
 H   -2.731400      0.1749000      -1.631400    
 H   -2.051000       1.269400     -0.4196000    
 H   -2.923200      -2.665700      0.8131000    
 H   -3.321800      -2.247700     -0.8544000    
 H    1.258200     -0.4499000      -1.879800    
 H   -3.968400       1.276500      0.9495000    
 H   -4.400900       1.737500     -0.6786000    
 H   -5.342300      -2.167100      0.5750000    
 H   -4.544100      -1.113500       1.716500    
 H   -4.806900     -0.8728000      -2.059700    
 H   -6.005400      0.4197000      -1.872100    
 H   -6.396400      -1.209200      -1.350400    
 H   0.3624000       1.987500       2.514600    
 H    3.085200      -1.247000       1.287300    
 H   0.9503000      -2.810100      -2.136700    
 H    2.960300       3.132500      -2.121500    
 H  -4.3000001E-03   4.170200       1.709900    
 H    3.942900      -3.481700       1.764400    
 H    1.802600      -5.064100      -1.608600    
 H    3.303100      -5.406600      0.3370000    
 H    2.120700       5.415300      -1.792700    
 H   0.6712000       5.946700      0.1467000    


%chk=000126374-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126374

0 1
S 2.896896 0.722673 -0.377235
O 0.042459 -0.535672 2.341197
N -2.303051 -0.517857 -0.021858
N -5.188500 0.015116 -0.115748
N 0.662072 1.585894 1.699477
C 0.149942 -0.079004 -0.095991
C -0.977047 -1.131044 -0.257052
C -2.919866 0.042223 -1.248374
C -3.245117 -1.380995 0.734789
C 1.454340 -0.511389 -0.819213
C -4.210443 0.822421 -0.884681
C -4.526304 -0.576819 1.074818
C 0.305004 0.270811 1.398418
C 1.995706 -1.912127 -0.594243
C -5.969875 -0.943381 -0.925264
C 2.031299 2.339193 -0.238804
C 1.095594 2.605592 0.804891
C 2.042632 -2.525894 0.685892
C 2.507081 -2.623183 -1.712004
C 2.441657 3.394722 -1.088512
C 0.623261 3.929888 0.997012
C 2.581366 -3.822606 0.833106
C 3.050365 -3.918181 -1.563246
C 3.088585 -4.523297 -0.286256
C 1.971475 4.711635 -0.888331
C 1.066033 4.978597 0.165077
H -0.179893 0.850896 -0.599305
H -0.814017 -1.930160 0.485944
H -0.904054 -1.597987 -1.269079
H -3.156134 -0.764038 -1.992043
H -2.202148 0.731772 -1.734150
H -2.746846 -1.695650 1.669717
H -3.515369 -2.305785 0.162384
H 1.290835 -0.369368 -1.902696
H -3.922411 1.692477 -0.262874
H -4.696911 1.200325 -1.803263
H -5.250464 -1.222176 1.605735
H -4.240138 0.251256 1.751859
H -5.380581 -1.764225 -1.401573
H -6.492281 -0.394411 -1.730118
H -6.738369 -1.412536 -0.284067
H 0.597993 1.818218 2.696238
H 1.649587 -2.000612 1.561093
H 2.480463 -2.155166 -2.704329
H 3.152778 3.175052 -1.891309
H -0.101531 4.124599 1.796026
H 2.606465 -4.286403 1.825610
H 3.440619 -4.451033 -2.437568
H 3.508677 -5.528129 -0.164533
H 2.310673 5.518852 -1.545668
H 0.694890 5.995815 0.329810


