%chk=000091689.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091689

0 1
 S   -3.111100     -0.2419000     -0.7015000    
 O    1.507700      -1.967200      0.3387000    
 N  -0.6334000      -1.165400     -0.1426000    
 N   0.4733000       1.334100     -0.3694000    
 N  -0.8945000       1.142400     -0.5634000    
 N   -1.260200      -2.405200     -4.2700000E-02
 C    2.706300      0.5421000      0.1286000    
 C    1.233400      0.3284000     -7.9700001E-02
 C    3.459200     -0.3021000     -0.9029000    
 C    3.077600      0.1026000       1.547700    
 C    3.026600       2.027100     -6.4700000E-02
 C   0.7203000      -1.074500      6.5099999E-02
 C   -1.382500     -4.9300000E-02 -0.4486000    
 C   -3.703100      0.8482000      0.6070000    
 C   -5.219600      0.8806000      0.6283000    
 H    3.027500     -0.1881000      -1.904400    
 H    4.507400      1.5600000E-02 -0.9631000    
 H    3.485600      -1.370600     -0.6741000    
 H    3.097900     -0.9811000       1.689300    
 H    2.381900      0.5185000       2.286200    
 H    4.081700      0.4588000       1.807900    
 H    2.490900       2.657100      0.6553000    
 H    2.769500       2.372700      -1.073200    
 H    4.097300       2.216700      7.6300003E-02
 H  -0.7939000      -3.033400     -0.6961000    
 H   -1.068000      -2.766400      0.8910000    
 H   -3.327100      0.4940000       1.572300    
 H   -3.324100       1.862500      0.4462000    
 H   -5.627600       1.258300     -0.3155000    
 H   -5.640900     -0.1126000      0.8178000    
 H   -5.566900       1.544300       1.427200    


%chk=000091689-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000091689

0 1
S -3.218892 -0.661123 0.240439
O 1.584283 -2.248099 0.067046
N -0.581855 -1.386158 0.155752
N 0.379586 1.212687 0.238094
N -1.007692 0.969857 0.257796
N -1.141462 -2.697366 0.114881
C 2.761136 0.553654 0.158814
C 1.265845 0.203123 0.178190
C 3.395177 0.008419 -1.158392
C 3.458845 -0.107125 1.387748
C 2.962066 2.087660 0.223068
C 0.848288 -1.219814 0.128995
C -1.446588 -0.296461 0.216165
C -3.880633 1.132082 0.310322
C -5.412682 1.066661 0.336559
H 2.926135 0.476681 -2.043497
H 4.472396 0.256788 -1.171904
H 3.289673 -1.086482 -1.232881
H 3.355376 -1.204467 1.367241
H 3.035233 0.276774 2.334188
H 4.535813 0.142276 1.370415
H 2.527284 2.513646 1.143298
H 2.479960 2.594277 -0.630172
H 4.045340 2.309948 0.204344
H -0.854655 -3.167570 -0.756504
H -0.822574 -3.234810 0.934738
H -3.454273 1.600288 1.210097
H -3.487440 1.656973 -0.573098
H -5.817452 0.578378 -0.567737
H -5.785267 0.521935 1.222344
H -5.819772 2.093572 0.376654


