%chk=000157619.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157619

0 1
 S   -1.018800     -0.8960000      0.1453000    
 O   -3.429700      -4.035000      0.7890000    
 O    3.264600      2.8500000E-02   2.230200    
 O   0.4487000       2.458100     -0.7546000    
 O    6.055100     -0.3047000      -2.475800    
 O    7.735400      0.4412000      -1.148400    
 O   -3.073800       2.138100     -0.1565000    
 O   -3.660700       4.271600     -0.6579000    
 N    1.895300      0.5173000      0.4187000    
 N  -0.8855000       2.784400       1.115000    
 N    7.581200      -1.901300      0.2959000    
 C   0.7691000       1.017900       1.172200    
 C  -0.2019000     -9.8099999E-02   1.566000    
 C    5.370100     -0.9047000      0.6318000    
 C    4.077600     -0.3967000     -1.0500000E-02
 C    6.376000      -1.436400     -0.3951000    
 C    3.059200      6.0699999E-02   1.019900    
 C   -2.080900      -2.030700       1.065900    
 C   -2.964600      -2.859400      0.1279000    
 C   0.1087000       2.148300      0.3855000    
 C   -4.172700      -2.068700     -0.3268000    
 C    6.817500     -0.3436000      -1.351800    
 C   -5.354000      -2.112700      0.4138000    
 C   -4.104600      -1.295800      -1.486100    
 C   -1.639200       3.901500      0.5955000    
 C   -6.467300      -1.384000     -4.9999999E-03
 C   -5.217900     -0.5671000      -1.904700    
 C   -6.399200     -0.6112000      -1.164100    
 C   -2.887600       3.478400     -0.1349000    
 H    1.163500       1.463700       2.095100    
 H   0.3379000     -0.8739000       2.120800    
 H  -0.9827000      0.2949000       2.225000    
 H    5.127100      -1.699300       1.349700    
 H    5.819700     -8.7600000E-02   1.212700    
 H    4.282800      0.4571000     -0.6659000    
 H    3.622000      -1.190500     -0.6142000    
 H    1.816400      0.4814000     -0.5939000    
 H    5.954000      -2.271500     -0.9650000    
 H   -1.435400      -2.701800       1.644000    
 H   -2.689100      -1.473800       1.788000    
 H   -2.403800      -3.213700     -0.7460000    
 H   -1.092100       2.476400       2.060100    
 H    7.333000      -2.635600      0.9580000    
 H    8.216200      -2.330000     -0.3767000    
 H   -5.430600      -2.694400       1.328200    
 H   -3.197200      -1.259600      -2.082200    
 H   -1.009800       4.474000     -9.2299998E-02
 H   -1.927600       4.522200       1.448300    
 H   -2.649100      -4.552700       1.050400    
 H   -7.386100      -1.415300      0.5732000    
 H   -5.165600      3.3399999E-02  -2.808100    
 H   -7.265700     -4.3200001E-02  -1.489800    
 H    6.336600      0.4121000      -3.083500    
 H   -3.893100       1.889000     -0.6350000    


%chk=000157619-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157619

0 1
S -0.907590 -1.020044 -0.429848
O -3.638820 -4.124637 0.095059
O 2.781218 -0.712449 1.964747
O 0.510052 2.431166 -1.000779
O 6.358131 -0.013932 -2.024821
O 8.513482 -0.283125 -1.223614
O -3.660675 1.947333 0.712348
O -4.191033 3.303883 -1.108776
N 1.936480 0.546192 0.213216
N -1.089485 2.584650 0.687963
N 7.670203 -1.557032 1.034332
C 0.714590 0.910373 0.927647
C -0.222481 -0.297762 1.185327
C 5.425966 -0.549374 0.717088
C 4.117301 -0.555996 -0.102665
C 6.632301 -1.273554 0.047936
C 2.907439 -0.248168 0.782883
C -1.829196 -2.486672 0.346800
C -3.096875 -2.864329 -0.460617
C 0.037691 2.043110 0.112864
C -4.209018 -1.831544 -0.349820
C 7.286064 -0.482494 -1.086012
C -5.018389 -1.787957 0.813687
C -4.431774 -0.893310 -1.384796
C -1.970840 3.489768 -0.050728
C -6.030054 -0.811300 0.943262
C -5.443065 0.087468 -1.259977
C -6.242602 0.136696 -0.090302
C -3.380099 2.922702 -0.239855
H 0.989183 1.295949 1.932708
H 0.360764 -1.074301 1.704968
H -1.082710 -0.002281 1.813144
H 5.225399 -1.074921 1.669279
H 5.724931 0.480155 0.984960
H 4.178854 0.132519 -0.961823
H 3.960870 -1.571800 -0.522922
H 2.044390 0.974041 -0.714593
H 6.220571 -2.191029 -0.451656
H -1.129162 -3.341722 0.380766
H -2.117191 -2.213127 1.376384
H -2.821873 -3.004415 -1.527705
H -1.487649 2.143620 1.519783
H 7.448538 -2.257190 1.739469
H 8.633341 -1.534268 0.696563
H -4.870567 -2.542189 1.593235
H -3.812761 -0.921164 -2.288715
H -1.526108 3.673348 -1.042907
H -2.062486 4.469915 0.457159
H -2.948155 -4.832795 0.027418
H -6.659410 -0.792243 1.840015
H -5.598027 0.819570 -2.059126
H -7.042087 0.881093 -0.003359
H 6.849342 0.458619 -2.751164
H -4.525518 1.476157 0.516870


