%chk=000033789.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033789

0 1
 S   -7.347900     -1.6700000E-02  6.0600001E-02
 O   -5.787600     -0.4661000      0.2483000    
 O    4.918300       2.417900       1.332800    
 O    5.191400       2.549500     -0.9200000    
 O   -8.178900      -1.184600      0.8394000    
 O   -7.538100       1.219500      0.7963000    
 O   -7.692000     -8.7300003E-02  -1.347400    
 N    1.520200     -0.8289000     -0.1207000    
 N   -2.312700      0.5788000     -0.3468000    
 N   -1.084500      2.2800000E-02 -0.2788000    
 C    3.876400     -0.3422000      1.7000001E-02
 C    2.797300      -1.248700     -4.4799998E-02
 C    3.588000       1.029100     -2.7000001E-03
 C    1.284600      0.5031000     -0.1371000    
 C    2.273000       1.464700     -8.0899999E-02
 C    5.197200     -0.8154000      9.5700003E-02
 C    3.084300      -2.610800     -2.5100000E-02
 C   -3.408800     -0.2624000      0.1028000    
 C    5.455400      -2.183000      0.1136000    
 C    4.397400      -3.081500      5.2999999E-02
 C   -4.746900      0.3967000     -0.1912000    
 C  -0.1127000      0.8924000     -0.2201000    
 C    4.626600       2.053000      5.6299999E-02
 H    2.033000       2.523300     -9.7199999E-02
 H    6.044800     -0.1363000      0.1440000    
 H    2.273200      -3.335100     -7.1400002E-02
 H   -3.322300     -0.4648000       1.177300    
 H   -3.373100      -1.237500     -0.3990000    
 H    6.477100      -2.545200      0.1744000    
 H    4.589700      -4.150400      6.6500001E-02
 H   -4.862200      0.5761000      -1.266300    
 H   -4.827500       1.354700      0.3350000    
 H  -0.3193000       1.979900     -0.2358000    
 H   -2.350500       1.490800      0.1075000    
 H    5.616900       3.105800       1.365500    
 H   -7.910800      -2.108400      0.6230000    


%chk=000033789-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000033789

0 1
S -6.306898 -1.044105 -1.370082
O -5.502908 -0.319353 0.198877
O 5.825629 1.537457 -0.390126
O 4.427893 3.305675 0.092730
O -7.090369 -2.380449 -0.402909
O -7.493457 -0.147071 -1.959238
O -5.144509 -1.594159 -2.337037
N 1.106860 -0.550027 0.379603
N -2.470423 1.457008 1.367940
N -1.334338 0.777896 1.042485
C 3.562693 -0.370203 -0.116561
C 2.323457 -1.123377 0.064243
C 3.461863 1.065689 0.055604
C 1.053245 0.797947 0.530617
C 2.216096 1.623403 0.373506
C 4.752096 -1.099341 -0.443851
C 2.330900 -2.549947 -0.089779
C -3.712513 0.698011 1.426195
C 4.722094 -2.490349 -0.586430
C 3.507733 -3.224636 -0.409889
C -4.241460 0.400813 -0.011843
C -0.215688 1.457605 0.858609
C 4.569542 2.068021 -0.069602
H 2.147637 2.708594 0.501358
H 5.684972 -0.552569 -0.581682
H 1.378581 -3.068526 0.053658
H -4.464434 1.277979 1.986440
H -3.528209 -0.253224 1.949727
H 5.644536 -3.025359 -0.838022
H 3.506741 -4.313539 -0.527387
H -3.503814 -0.221819 -0.551676
H -4.418261 1.346942 -0.559066
H -0.178480 2.561543 0.950113
H -2.501722 2.487998 1.366498
H 6.474971 2.290807 -0.446068
H -6.521060 -2.482534 0.416742


