%chk=000001273.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001273

0 1
 S   0.4879000       2.298000      0.2727000    
 O   -4.509000       1.633500     -0.6895000    
 O   -3.210700       1.521000       1.164200    
 O   4.8900001E-02   2.311700       1.655200    
 O   0.9169000       3.526000     -0.3688000    
 O   -2.526600      -2.675800       1.419400    
 O    5.832900      -1.418200      -1.109100    
 O    5.082600      -2.502300      0.6461000    
 N  -0.7029000       1.561500     -0.6903000    
 N    4.996800      -1.566000     -0.1850000    
 C   -2.684100      7.0500001E-02 -0.7224000    
 C   -3.242200      -1.352400     -0.4762000    
 C   -1.198100      0.2096000     -0.3467000    
 C   -4.687300      -1.566400     -0.9601000    
 C   -3.469900       1.138700      2.9700000E-02
 C   -3.182300      -1.729500      0.9932000    
 C   -5.164000      -3.004700     -0.8187000    
 C    1.826300       1.151100      0.1371000    
 C    2.750700       1.308500     -0.8810000    
 C    1.925000      0.1162000       1.051200    
 C    3.806600      0.4034000     -0.9885000    
 C    2.980800     -0.7889000      0.9438000    
 C    3.921600     -0.6454000     -7.6099999E-02
 H   -2.772800      0.3001000      -1.793500    
 H   -2.596600      -2.059700      -1.014500    
 H  -0.6061000     -0.5251000     -0.9034000    
 H   -1.061500      2.0600000E-02  0.7229000    
 H   -4.758100      -1.275400      -2.015000    
 H   -5.378200     -0.9232000     -0.4023000    
 H  -0.7643000       1.821200      -1.682700    
 H   -3.786300      -1.113500       1.680900    
 H   -6.163500      -3.112100      -1.252500    
 H   -4.493700      -3.693500      -1.342400    
 H   -5.225100      -3.311000      0.2300000    
 H    2.674000       2.113200      -1.605700    
 H    1.202400     -1.3700000E-02   1.850800    
 H   -5.006500       2.316300     -0.1911000    
 H    4.519700      0.5452000      -1.796600    
 H    3.038500      -1.594000       1.672000    


%chk=000001273-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001273

0 1
S 0.171027 2.167838 -0.194197
O -3.116042 2.398096 -0.343898
O -3.544554 0.808347 1.300069
O -0.682615 2.034804 1.193474
O 0.664007 3.613642 -0.745198
O -1.445403 -1.807710 1.046095
O 6.081588 -1.217835 -0.290454
O 4.969922 -2.451601 1.273292
N -0.670990 1.376533 -1.659207
N 5.044355 -1.479581 0.430024
C -2.859604 0.087975 -0.966117
C -3.290526 -1.351753 -0.532942
C -1.342925 0.090693 -1.391470
C -4.825311 -1.553089 -0.532214
C -3.196741 1.087867 0.132820
C -2.681858 -1.703782 0.840676
C -5.230718 -3.038068 -0.403334
C 1.657055 1.016284 -0.016759
C 2.790340 1.300747 -0.797111
C 1.576391 -0.035719 0.911436
C 3.919145 0.470969 -0.645198
C 2.706726 -0.868164 1.056525
C 3.850851 -0.599303 0.274913
H -3.451666 0.387044 -1.854780
H -2.838960 -2.053066 -1.267946
H -1.273467 -0.492551 -2.331164
H -0.765992 -0.469336 -0.634867
H -5.244886 -1.143355 -1.472098
H -5.268563 -0.966611 0.295259
H -1.278367 2.119533 -2.052760
H -3.410181 -1.881060 1.665072
H -6.329613 -3.147710 -0.395817
H -4.836694 -3.634590 -1.247526
H -4.847579 -3.487874 0.531649
H 2.790759 2.152731 -1.483809
H 0.672959 -0.195881 1.508515
H -3.185600 3.035147 0.418184
H 4.835978 0.634504 -1.216692
H 2.709554 -1.708618 1.754653


