%chk=000121759.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121759

0 1
 S    2.922400      -2.540800      8.4600002E-02
 O    3.112000      -3.837700     -0.5546000    
 O    3.326800      -2.378100       1.475900    
 O    1.781000       2.873800      -2.125500    
 O    3.932700       2.362900       1.946700    
 O   -3.133700      0.3891000       1.376900    
 O   -7.888300       1.572800      0.9621000    
 O   -7.700500      0.1376000     -0.8013000    
 N    3.700500      -1.347900     -0.8850000    
 N   -2.810300      -1.103800     -0.4064000    
 N    3.817700      0.5240000      0.5449000    
 N    2.852200       2.641100     -8.2000002E-02
 C    1.235000      -2.117500     -6.0400002E-02
 C   0.4628000      -2.668600      -1.083000    
 C   0.6589000      -1.228300      0.8467000    
 C   -1.440700      -1.446500     -0.2896000    
 C  -0.8855000      -2.330400      -1.198500    
 C  -0.6895000     -0.8902000      0.7313000    
 C    3.393500      3.4400001E-02 -0.6334000    
 C    2.706200      0.7603000      -1.576900    
 C    2.460000       2.076400      -1.242700    
 C    3.516700       1.819800      0.7533000    
 C   -3.534900     -0.2413000      0.4057000    
 C   -4.955200     -0.1457000     -4.8599999E-02
 C    1.555600       4.221500      -1.728600    
 C    4.633900       1.497500       2.827800    
 C   -5.814800      0.6406000      0.6106000    
 C   -7.214500      0.7253000      0.1501000    
 H   0.8919000      -3.357200      -1.805400    
 H    1.241900     -0.7867000       1.650200    
 H    3.783100      -1.584900      -1.882800    
 H   -1.477700      -2.763800      -1.999500    
 H   -1.060200     -0.1960000       1.470600    
 H   -3.295300      -1.553200      -1.180300    
 H    2.376900      0.3355000      -2.516800    
 H   -5.260000     -0.7241000     -0.9146000    
 H    2.502700       4.752300      -1.585000    
 H   0.9418000       4.266500     -0.8227000    
 H    1.007400       4.721800      -2.532300    
 H    4.894000       2.068000       3.724500    
 H    4.005100      0.6553000       3.136200    
 H    5.565200       1.142700       2.373500    
 H   -5.525400       1.224600       1.477500    
 H   -8.828500       1.665300      0.6979000    


%chk=000121759-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121759

0 1
S 2.702380 -2.190832 -0.357683
O 2.942162 -3.531511 -1.250815
O 3.381611 -2.016794 1.102073
O 5.448722 3.296990 -2.476340
O 2.476019 2.892810 1.079748
O -3.580641 -0.333597 2.194209
O -8.616491 0.206480 2.470247
O -8.429846 -0.860996 0.406945
N 3.280895 -0.914218 -1.592455
N -3.296306 -1.411644 0.116880
N 2.858874 0.966984 -0.226471
N 3.928005 3.109366 -0.681424
C 0.859644 -1.892167 -0.209914
C 0.037006 -2.346318 -1.253817
C 0.369273 -1.295076 0.958867
C -1.888284 -1.554678 0.052383
C -1.350337 -2.167576 -1.116147
C -1.022352 -1.124244 1.097762
C 3.556926 0.415856 -1.274230
C 4.469935 1.162282 -2.055456
C 4.591374 2.533174 -1.714478
C 3.104693 2.279664 0.019449
C -4.068695 -0.832901 1.136173
C -5.533705 -0.863773 0.848402
C 5.599328 4.719786 -2.089293
C 1.597594 2.052519 1.918151
C -6.433244 -0.344538 1.727484
C -7.885916 -0.381106 1.431623
H 0.464910 -2.837732 -2.132435
H 1.061438 -0.987444 1.747512
H 3.866363 -1.398938 -2.285967
H -2.018837 -2.509620 -1.915489
H -1.448440 -0.668943 1.992954
H -3.813129 -1.776004 -0.687847
H 5.048825 0.735751 -2.875300
H -5.902148 -1.311493 -0.085519
H 5.977725 4.799930 -1.056939
H 4.630633 5.241716 -2.157180
H 6.322453 5.119872 -2.814302
H 1.249022 2.730957 2.709849
H 0.750463 1.667192 1.325716
H 2.165161 1.205769 2.341283
H -6.102036 0.108519 2.667394
H -9.588127 0.172924 2.255497


