%chk=000040854.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040854

0 1
 S   -3.303400      -1.746400     -0.3290000    
 O   -3.315500      -1.979500      -1.814400    
 O    6.127700      0.9146000     -0.7895000    
 O    5.213100      0.3546000       1.227900    
 N    1.688800     -0.2400000      -1.213700    
 N    2.350600     -0.3814000      0.9033000    
 N    3.953500      0.3124000     -0.7564000    
 C   0.5846000     -0.6501000     -0.5116000    
 C    1.023200     -0.7310000      0.8070000    
 C   -1.606300      -1.345200      0.1024000    
 C  -0.7205000     -0.9483000     -0.9048000    
 C   0.1199000      -1.131200       1.806000    
 C   -1.195700      -1.435600       1.434300    
 C    2.717500     -9.3300000E-02 -0.3253000    
 C   -3.898200     -5.3900000E-02 -9.6799999E-02
 C   -3.885100      0.8265000      -1.168600    
 C   -4.359900      0.3413000       1.150200    
 C   -4.343700       2.131500     -0.9895000    
 C   -4.818600       1.646400       1.329200    
 C   -4.810400       2.541400      0.2593000    
 C    5.098100      0.5082000      1.8300001E-02
 C    7.380200       1.159000     -0.1386000    
 H   -1.013500     -0.8667000      -1.945600    
 H    1.734300     -7.5199999E-02  -2.210300    
 H   0.4295000      -1.205000       2.843600    
 H   -1.894100      -1.747700       2.207900    
 H    4.045400      0.4901000      -1.753400    
 H   -3.523600      0.5336000      -2.149800    
 H   -4.373600     -0.3463000       1.991300    
 H   -4.336500       2.829000      -1.822000    
 H   -5.182300       1.965700       2.301500    
 H   -5.167300       3.557700      0.3989000    
 H    7.273500       1.961000      0.5980000    
 H    8.101400       1.473300     -0.8977000    
 H    7.745400      0.2429000      0.3351000    


%chk=000040854-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040854

0 1
S -3.240285 -1.633119 -0.524651
O -3.107372 -1.585558 -2.194737
O 6.398262 0.729122 -0.795516
O 5.447057 0.357257 1.331595
N 1.917905 -0.299564 -1.250040
N 2.508201 -0.324781 0.968010
N 4.218502 0.203749 -0.711361
C 0.742347 -0.625706 -0.549969
C 1.135594 -0.636704 0.834119
C -1.473106 -1.192932 0.059932
C -0.567364 -0.907504 -0.971772
C 0.188591 -0.946772 1.835507
C -1.134950 -1.233292 1.433631
C 2.931670 -0.132203 -0.285632
C -4.081922 0.043722 -0.112589
C -4.348585 0.876644 -1.209379
C -4.460101 0.363870 1.203330
C -5.007810 2.105444 -0.972560
C -5.119102 1.596855 1.426742
C -5.389767 2.464618 0.342034
C 5.344491 0.417007 0.094560
C 7.695711 0.992629 -0.138611
H -0.919819 -0.928393 -2.011506
H 2.002840 -0.208067 -2.260985
H 0.485017 -0.967882 2.887742
H -1.888155 -1.492665 2.185956
H 4.390648 0.312391 -1.712506
H -4.043084 0.543261 -2.209780
H -4.258896 -0.315317 2.039758
H -5.226717 2.775650 -1.811038
H -5.422166 1.873592 2.442410
H -5.903596 3.415653 0.520964
H 7.609220 1.848449 0.551843
H 8.387036 1.218804 -0.962448
H 8.028208 0.104140 0.424146


