%chk=000052182.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052182

0 1
 S   -2.197500     -0.8841000     -1.6700000E-02
 O  -8.5400000E-02 -0.1666000       2.322500    
 O   4.2800002E-02  3.8100000E-02  -2.367100    
 O    3.402600      -2.018900     -1.3800000E-02
 N    1.704700      -1.004700       1.158300    
 N    1.769200     -0.9020000      -1.184200    
 C   0.1587000      0.5139000      7.8999996E-03
 C   0.8535000       1.885100      8.6900003E-02
 C   -1.363000      0.7173000     -2.4900001E-02
 C   0.5432000     -0.2548000       1.268100    
 C   0.6134000     -0.1429000      -1.291600    
 C   0.5459000       2.705600      -1.160000    
 C   0.4193000       2.625500       1.346200    
 C    2.373700      -1.341000     -1.2500000E-02
 C   -3.908700     -0.2994000     -5.9099998E-02
 C   -4.872200      -1.471100     -5.9900001E-02
 H    1.943000       1.752900      0.1382000    
 H   -1.702000       1.242600     -0.9213000    
 H   -1.739700       1.250900      0.8503000    
 H  -0.5177000       2.908000      -1.306700    
 H    1.024700       3.689100      -1.067400    
 H   0.9601000       2.272100      -2.073800    
 H  -0.6401000       2.893000       1.360700    
 H   0.9594000       3.580200       1.396600    
 H   0.6752000       2.106000       2.272100    
 H    2.061300      -1.417600       2.015700    
 H    2.173300      -1.239100      -2.053500    
 H   -4.098500      0.3299000      0.8161000    
 H   -4.063700      0.3027000     -0.9599000    
 H   -4.726600      -2.111200     -0.9368000    
 H   -4.761300      -2.083900      0.8411000    
 H   -5.904100      -1.105100     -8.5699998E-02


%chk=000052182-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052182

0 1
S -2.495191 -0.580643 1.014581
O 0.406586 0.084916 2.685536
O -0.834578 0.070988 -1.937691
O 2.819978 -2.361063 -0.437763
N 1.657446 -1.030961 1.095826
N 1.056172 -1.019656 -1.186590
C -0.021222 0.661747 0.321378
C 0.879657 1.985966 0.094373
C -1.474759 0.994976 0.715238
C 0.650815 -0.117867 1.469771
C -0.013441 -0.121843 -1.003482
C 0.462638 2.785903 -1.163295
C 0.877207 2.913868 1.333911
C 1.918319 -1.522151 -0.194503
C -3.666805 -0.522206 -0.486380
C -4.526584 -1.793619 -0.491696
H 1.916931 1.621260 -0.061365
H -1.969969 1.561810 -0.087322
H -1.494645 1.562298 1.655566
H -0.577041 3.151008 -1.085824
H 1.120147 3.669621 -1.254250
H 0.545750 2.202331 -2.094521
H -0.096275 3.423022 1.450270
H 1.644710 3.697202 1.195825
H 1.096564 2.378575 2.272095
H 2.193674 -1.465884 1.853777
H 1.148893 -1.450842 -2.112187
H -4.290308 0.382869 -0.384414
H -3.040423 -0.439099 -1.388940
H -3.901030 -2.698565 -0.589944
H -5.122191 -1.884165 0.434418
H -5.227525 -1.769298 -1.346600


