%chk=000149567.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149567

0 1
 S   -5.883700       1.659100       1.384900    
 O    4.812500       1.853600     -0.3612000    
 O   -2.831300      -1.720900      -2.447900    
 O   -7.049600       1.726200       2.246300    
 O   -4.737700       2.512700       1.628200    
 O    5.822000       1.492700       2.225000    
 N  -0.4236000      -1.112200      -1.124700    
 N    3.504900     -0.5013000      0.2025000    
 N   -5.404900      1.0800000E-02   1.244300    
 C   0.9085000     -0.9051000     -0.6746000    
 C    1.560800      0.2964000     -0.9692000    
 C    1.555800      -1.904700      5.8800001E-02
 C    2.876900      0.4581000     -0.5043000    
 C    2.872200      -1.657100      0.4831000    
 C   -1.668700     -0.8375000     -0.5441000    
 C    3.531600       1.652300     -0.7944000    
 C   0.9347000       1.317700      -1.704900    
 C   0.9245000      -3.122000      0.3688000    
 C    3.522300      -2.648700       1.212900    
 C   -2.860000      -1.145600      -1.212400    
 C    2.912400       2.669200      -1.525400    
 C    1.611300       2.501800      -1.981800    
 C   -1.728900     -0.2455000      0.7235000    
 C   -4.143200     -0.2761000      0.6408000    
 C    1.596500      -4.097300       1.099700    
 C   -4.092500     -0.8660000     -0.6222000    
 C    2.898200      -3.859800       1.522300    
 C   -2.961400      3.4100000E-02   1.313500    
 C    5.031400       2.960800      0.5072000    
 C    6.173300       2.632200       1.449600    
 C   -6.449500       1.964600     -0.2737000    
 C   -2.814800     -0.8423000      -3.570800    
 H  -0.4661000      -1.574600      -2.028100    
 H  -8.0100000E-02   1.217900      -2.081100    
 H  -9.0800002E-02  -3.342200      4.9600001E-02
 H    4.542700      -2.486200       1.555600    
 H    3.438800       3.592100      -1.752900    
 H    1.126500       3.287700      -2.552900    
 H  -0.8258000      5.5000000E-03   1.273700    
 H    1.107300      -5.037000       1.336700    
 H   -5.011700      -1.108600      -1.150400    
 H    3.431800      -4.614200       2.093100    
 H   -2.984400      0.4823000       2.303500    
 H   -6.154500     -0.6397000      0.9730000    
 H    4.128400       3.168200       1.095900    
 H    5.281600       3.843200     -9.1200002E-02
 H    6.376200       3.470600       2.122300    
 H    7.079400       2.387000      0.8867000    
 H   -5.608400       1.880800     -0.9638000    
 H   -6.852600       2.979300     -0.3088000    
 H   -7.234900       1.247600     -0.5198000    
 H   -2.761800      -1.448700      -4.479100    
 H   -3.731700     -0.2453000      -3.601900    
 H   -1.940700     -0.1845000      -3.538700    
 H    6.572200       1.307400       2.815200    


%chk=000149567-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000149567

0 1
S -5.994070 2.384476 0.718420
O 4.597252 1.928187 0.556090
O -2.644617 -2.116126 -2.150367
O -7.598065 2.550180 0.964894
O -4.909433 3.278554 1.540589
O 6.488408 2.115384 2.596538
N -0.481074 -1.256995 -0.946053
N 3.578157 -0.535030 0.275562
N -5.502698 0.375265 1.097963
C 0.841767 -0.981025 -0.513856
C 1.356894 0.352727 -0.434912
C 1.701334 -2.089730 -0.224281
C 2.744821 0.507859 -0.000882
C 3.081220 -1.806532 0.148181
C -1.689979 -0.781408 -0.427985
C 3.280719 1.859713 0.116572
C 0.602090 1.517040 -0.810410
C 1.264620 -3.460114 -0.257493
C 3.971818 -2.902861 0.417357
C -2.890860 -1.242049 -1.072840
C 2.499245 2.969513 -0.213155
C 1.164067 2.783342 -0.695201
C -1.815737 0.057290 0.712968
C -4.269633 -0.010320 0.539827
C 2.154572 -4.497679 0.014319
C -4.154843 -0.840192 -0.625248
C 3.524358 -4.218823 0.343450
C -3.080042 0.431737 1.192426
C 5.187719 3.253685 0.835261
C 6.577584 2.934701 1.389930
C -5.656677 2.757946 -1.153969
C -3.799600 -2.678551 -2.853780
H -0.598708 -2.011241 -1.630798
H -0.414131 1.403505 -1.193935
H 0.214815 -3.692113 -0.468487
H 5.002930 -2.651745 0.683645
H 2.898516 3.983811 -0.126735
H 0.580261 3.664791 -0.981152
H -0.916411 0.392670 1.235431
H 1.806067 -5.536031 -0.007309
H -5.063981 -1.179252 -1.134441
H 4.209594 -5.047642 0.551242
H -3.181413 1.058558 2.082546
H -6.320980 -0.087158 0.648728
H 4.568066 3.779541 1.588435
H 5.247468 3.856951 -0.093788
H 7.087247 3.865984 1.689797
H 7.178920 2.430221 0.605061
H -4.626875 2.436594 -1.361386
H -5.780177 3.845893 -1.247932
H -6.409091 2.200728 -1.728534
H -3.378591 -3.343188 -3.621774
H -4.440387 -3.259161 -2.163004
H -4.394475 -1.880069 -3.336812
H 5.943418 1.316989 2.367688


