%chk=000006304.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006304

0 1
 S   0.2476000     -0.1158000      -1.146700    
 O   -2.194300      -2.744300      0.2877000    
 O    3.129400      0.9078000      0.4494000    
 O    3.745600     -0.2608000      -1.446400    
 N   -2.380400      5.3700000E-02 -0.4360000    
 N   7.4800000E-02  -2.172800      0.4049000    
 C   -1.943000      0.5435000      0.8788000    
 C   -2.624900       1.167300      -1.363200    
 C   -2.989600       1.471200       1.497900    
 C   -3.694000       2.115400     -0.8174000    
 C   -3.321600       2.632200      0.5674000    
 C   -1.391100     -0.8683000     -0.9933000    
 C   -1.245300      -2.034600     -3.5799999E-02
 C   0.9872000      -1.256700     -7.8900002E-02
 C   0.4667000      -3.228600       1.326300    
 C    2.293000      -1.209800      0.2118000    
 C    3.144800     -0.1639000     -0.3880000    
 C    3.907700       2.031700      2.4800001E-02
 C    3.787400       3.132900       1.056500    
 H   -1.005700       1.110600      0.8421000    
 H   -1.803200     -0.2754000       1.593200    
 H   -2.977500      0.7763000      -2.325700    
 H   -1.723500       1.758700      -1.563300    
 H   -2.623300       1.859100       2.455400    
 H   -3.903300      0.9025000       1.712900    
 H   -4.656900       1.591400     -0.7649000    
 H   -3.827400       2.959100      -1.503800    
 H   -4.145000       3.223500      0.9825000    
 H   -2.453500       3.298200      0.4886000    
 H   -1.709000      -1.269900      -1.962000    
 H    1.220100      -3.864700      0.8516000    
 H  -0.3937000      -3.848900       1.592800    
 H   0.8694000      -2.781900       2.240500    
 H    2.784000      -1.909700      0.8771000    
 H    4.956700       1.731900     -7.6700002E-02
 H    3.536000       2.388100     -0.9424000    
 H    4.371000       4.009800      0.7626000    
 H    2.741000       3.430200       1.182100    
 H    4.138500       2.785400       2.033700    


%chk=000006304-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006304

0 1
S 0.647936 0.472128 -0.600000
O -2.045845 -2.550787 -0.174122
O 3.393639 0.850992 0.110936
O 4.801183 -0.753320 1.065454
N -2.268709 0.441252 -0.287783
N 0.206853 -2.042900 0.238080
C -2.307204 0.613458 1.185837
C -2.629557 1.657794 -1.055329
C -3.687519 1.126654 1.641691
C -4.015928 2.186039 -0.635837
C -4.075625 2.421145 0.891075
C -1.212646 -0.328829 -0.824793
C -1.082888 -1.739819 -0.225702
C 1.228634 -1.061792 0.165394
C 0.463848 -3.381326 0.800212
C 2.502155 -1.316638 0.626221
C 3.660589 -0.425993 0.632737
C 4.546112 1.797919 0.091769
C 4.018848 3.119500 -0.459449
H -1.508677 1.324201 1.504753
H -2.095185 -0.362282 1.657376
H -2.623766 1.403912 -2.131516
H -1.863796 2.455911 -0.893032
H -3.662401 1.300319 2.734068
H -4.443032 0.342492 1.444460
H -4.784803 1.444623 -0.926141
H -4.227268 3.122379 -1.186245
H -5.087969 2.750990 1.189648
H -3.375108 3.236000 1.168524
H -1.305228 -0.402615 -1.921021
H 1.242630 -3.903037 0.217494
H -0.480284 -3.944792 0.742919
H 0.784947 -3.304895 1.853582
H 2.732173 -2.298789 1.047906
H 4.938214 1.893078 1.120757
H 5.343562 1.363777 -0.538680
H 4.836252 3.862743 -0.498262
H 3.616837 2.987272 -1.478517
H 3.213725 3.517635 0.181635


