%chk=000085822.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085822

0 1
 S    2.372100      0.1145000     -9.8300003E-02
 O   -2.180600      0.8925000     -0.5520000    
 O   -2.210200      -1.116800      0.5239000    
 N   0.3474000      -1.614300     -4.4300001E-02
 C   0.6818000      0.7882000      0.1148000    
 C  -0.1764000     -0.3282000     -0.5123000    
 C    1.787700      -1.592500     -0.2906000    
 C   0.5452000       2.106800     -0.6464000    
 C   0.4491000       1.008000       1.616400    
 C   -1.616100     -0.2583000     -0.1113000    
 H  -0.1397000     -0.3087000      -1.611100    
 H  -8.4600002E-02  -2.388000     -0.5474000    
 H    2.307500      -2.252500      0.4090000    
 H    2.009100      -1.922100      -1.310800    
 H    1.307200       2.829000     -0.3283000    
 H   0.6527000       1.967500      -1.728300    
 H  -0.4232000       2.584100     -0.4685000    
 H   0.5334000      8.0300003E-02   2.194000    
 H    1.166700       1.726500       2.030800    
 H  -0.5504000       1.416400       1.803700    
 H   -3.125700      0.9580000     -0.2980000    


%chk=000085822-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000085822

0 1
S 2.176671 -0.235152 0.631102
O -2.569643 0.005526 0.345684
O -1.241784 -1.723484 1.138987
N 0.404400 -1.212537 -1.240573
C 0.657736 0.860807 0.167761
C -0.351673 -0.137198 -0.571573
C 1.416842 -1.752830 -0.352545
C 1.114473 1.939332 -0.841619
C 0.075067 1.505591 1.441547
C -1.377617 -0.734729 0.390466
H -0.913846 0.438898 -1.325415
H 0.784331 -0.895101 -2.140444
H 0.971244 -2.406928 0.406751
H 2.222739 -2.253913 -0.907582
H 1.955572 2.522325 -0.429194
H 1.463800 1.486065 -1.787290
H 0.284487 2.638169 -1.068218
H -0.156536 0.744450 2.205670
H 0.802664 2.210393 1.880032
H -0.847621 2.068802 1.203964
H -3.218306 -0.378087 0.997490


