%chk=000112813.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112813

0 1
 S   -2.644800     -0.6015000     -0.1992000    
 O    1.821400       1.883000     -0.4004000    
 O  -0.1220000       3.068700     -0.5572000    
 N    5.967300     -0.5595000     -3.6300000E-02
 N   -2.484100       1.870200      0.4576000    
 N   -3.835900       1.574100      0.4434000    
 C    4.560500     -0.5213000      5.6299999E-02
 C    6.688500      -1.784200      0.2480000    
 C    6.709200      0.6216000     -0.4305000    
 C    1.766100     -0.4579000      0.2450000    
 C    2.485800      0.6743000     -0.1192000    
 C    3.875700      0.6603000     -0.2179000    
 C    3.854600      -1.668900      0.4241000    
 C    2.460200      -1.639200      0.5184000    
 C   0.3170000     -0.3736000      0.3255000    
 C  -0.3191000      0.7773000      5.9200000E-02
 C    6.828700      -2.612800      -1.014400    
 C    7.057800       1.451000      0.7903000    
 C   0.4358000       2.001200     -0.3235000    
 C   -1.746600      0.8231000      0.1404000    
 C   -4.057400      0.3190000      0.1164000    
 C   -5.350500     -0.3091000      1.2900000E-02
 C   -6.495700      0.4717000     -0.1501000    
 C   -5.459400      -1.699000      7.5300001E-02
 C   -7.747100     -0.1362000     -0.2507000    
 C   -6.710900      -2.306800     -2.5100000E-02
 C   -7.854800      -1.525400     -0.1882000    
 H    7.701600      -1.530600      0.5884000    
 H    6.274600      -2.363000       1.079700    
 H    7.653800      0.3119000     -0.8977000    
 H    6.218500       1.215900      -1.208000    
 H    4.361500       1.589600     -0.4909000    
 H    4.324900      -2.623200      0.6325000    
 H    1.929000      -2.544700      0.8016000    
 H  -0.1817000      -1.284800      0.6389000    
 H    7.416500      -3.513700     -0.8116000    
 H    5.855100      -2.927200      -1.403600    
 H    7.336500      -2.051300      -1.805800    
 H    6.162400       1.820700       1.299600    
 H    7.635200      0.8682000       1.515800    
 H    7.660600       2.317200      0.4990000    
 H   -6.436900       1.556100     -0.2045000    
 H   -4.611800      -2.360700      0.2257000    
 H   -8.637900      0.4721000     -0.3780000    
 H   -6.796500      -3.388300      2.9100001E-02
 H   -8.829300      -1.998600     -0.2652000    


%chk=000112813-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000112813

0 1
S -2.736442 -0.932681 -0.210221
O 1.875924 1.790623 -0.420701
O -0.047368 3.006276 -0.715790
N 6.110061 -0.517216 0.009761
N -2.547493 1.725838 0.101975
N -3.908771 1.443396 0.127606
C 4.720497 -0.534629 0.045481
C 6.919441 -1.707376 0.356273
C 6.860009 0.699512 -0.377771
C 1.835152 -0.596446 0.112827
C 2.560820 0.603139 -0.171529
C 3.958906 0.650825 -0.202375
C 3.997464 -1.754564 0.331277
C 2.604424 -1.772579 0.365396
C 0.410821 -0.537271 0.141716
C -0.309440 0.636897 -0.102605
C 7.152925 -2.661018 -0.838186
C 7.114337 1.666980 0.800996
C 0.404158 1.891510 -0.425217
C -1.767698 0.650414 -0.056755
C -4.211067 0.144678 -0.008768
C -5.581439 -0.375355 -0.001355
C -6.663962 0.538751 0.156174
C -5.863107 -1.761282 -0.149044
C -7.991237 0.069929 0.165178
C -7.194935 -2.224274 -0.139054
C -8.264471 -1.311926 0.018029
H 7.892940 -1.346734 0.736809
H 6.444533 -2.246877 1.195564
H 7.826479 0.373238 -0.804555
H 6.322643 1.216986 -1.193002
H 4.426905 1.615775 -0.404675
H 4.540011 -2.685328 0.510693
H 2.081220 -2.711265 0.582588
H -0.139383 -1.455381 0.383444
H 7.777509 -3.519414 -0.529597
H 6.197919 -3.049802 -1.232157
H 7.671144 -2.139436 -1.662818
H 6.166039 2.015908 1.244409
H 7.701055 1.174328 1.597269
H 7.680331 2.551223 0.455360
H -6.436371 1.603145 0.267563
H -5.041054 -2.476500 -0.272563
H -8.815731 0.780897 0.286467
H -7.398465 -3.294340 -0.254334
H -9.298830 -1.672872 0.025317


