%chk=000095207.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095207

0 1
 S   0.5091000      0.6905000      0.7939000    
 O    1.378500      3.9600000E-02 -0.4314000    
 O   0.9404000       2.066400      0.9961000    
 O   0.5131000     -0.2648000       1.894200    
 O   -5.355000      -1.246800     -0.3777000    
 O   -3.776100      -2.343000      0.6828000    
 N   -4.185900      -1.327100      7.0799999E-02
 C   -1.123900      0.7725000      0.1812000    
 C   -1.994600     -0.3007000      0.3693000    
 C   -1.557600       1.911900     -0.4966000    
 C   -3.299100     -0.2347000     -0.1204000    
 C    2.729400     -0.2003000     -0.3640000    
 C   -2.862000       1.978000     -0.9862000    
 C   -3.732700      0.9048000     -0.7981000    
 C    3.424100      0.1168000      0.7958000    
 C    3.381700     -0.7556000      -1.456700    
 C    4.796200     -0.1258000      0.8639000    
 C    4.753600     -0.9983000      -1.388600    
 C    5.460800     -0.6833000     -0.2283000    
 H   -1.642000      -1.186500      0.8914000    
 H  -0.8957000       2.757000     -0.6630000    
 H   -3.198800       2.864600      -1.515700    
 H   -4.741400      0.9914000      -1.193800    
 H    2.967400      0.5527000       1.676000    
 H    2.834000      -1.001800      -2.361900    
 H    5.347900      0.1195000       1.766800    
 H    5.271100      -1.432400      -2.239000    
 H    6.529100     -0.8722000     -0.1753000    


%chk=000095207-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000095207

0 1
S 0.443199 0.391024 1.277601
O 1.426940 0.336902 -0.496271
O 0.842952 1.714369 2.133905
O 0.488814 -1.086797 1.953029
O -5.204614 -1.102663 -1.475319
O -3.541230 -2.531921 -0.843155
N -4.046624 -1.353431 -0.966836
C -1.249522 0.670479 0.501959
C -1.967739 -0.451642 0.072213
C -1.714507 1.992269 0.399865
C -3.235643 -0.196841 -0.490648
C 2.764942 -0.016912 -0.428313
C -2.992381 2.201588 -0.169265
C -3.759919 1.107659 -0.621559
C 3.759159 1.002835 -0.380377
C 3.136304 -1.392442 -0.454763
C 5.120140 0.641880 -0.399526
C 4.501532 -1.738432 -0.469149
C 5.493401 -0.725764 -0.442165
H -1.589276 -1.472908 0.174011
H -1.102619 2.821955 0.767890
H -3.385468 3.218361 -0.259801
H -4.749430 1.242063 -1.066266
H 3.440947 2.049465 -0.340216
H 2.350253 -2.153827 -0.469962
H 5.891398 1.418995 -0.375481
H 4.796925 -2.792573 -0.496470
H 6.553664 -1.001291 -0.449433


