%chk=000076568.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076568

1 1
 S  -0.8422000       2.330400      0.3293000    
 O    3.496000      -1.678500     -0.1163000    
 O    2.122600     -0.8060000       1.475700    
 N   0.5666000      0.4023000     -0.4374000    
 C  -0.6874000     -0.1379000     -0.2629000    
 C   0.6606000       1.686600     -0.1707000    
 C   -1.620500      0.7971000      0.1678000    
 C    1.704400     -0.3720000     -0.8805000    
 C   -1.053000      -1.474500     -0.4773000    
 C   -2.954500      0.4355000      0.4014000    
 C    1.878400       2.507300     -0.2720000    
 C   -2.382700      -1.839600     -0.2456000    
 C   -3.317200     -0.8990000      0.1867000    
 C    2.428800     -0.9515000      0.3018000    
 H    2.397900      0.2560000      -1.449700    
 H    1.389200      -1.177200      -1.550300    
 H  -0.3498000      -2.233300     -0.8037000    
 H   -3.687700       1.161300      0.7381000    
 H    2.703000       2.058200      0.2902000    
 H    2.186800       2.612000      -1.317200    
 H    1.729700       3.516300      0.1271000    
 H   -2.690600      -2.870100     -0.4023000    
 H   -4.345300      -1.206400      0.3609000    
 H    3.988800      -2.070500      0.6358000    


%chk=000076568-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000076568

1 1
S -0.886844 2.397659 0.391267
O 3.279728 -1.974597 -0.070330
O 2.530913 -0.335381 1.421001
N 0.575604 0.424096 -0.494387
C -0.706644 -0.173804 -0.300813
C 0.660861 1.737923 -0.165199
C -1.658715 0.767262 0.174351
C 1.746859 -0.367720 -0.923229
C -1.075130 -1.518345 -0.527993
C -2.994114 0.408852 0.429087
C 1.899308 2.566331 -0.232057
C -2.411341 -1.882110 -0.273083
C -3.360469 -0.934021 0.196317
C 2.539208 -0.872320 0.298255
H 2.417944 0.255108 -1.538644
H 1.423260 -1.209481 -1.551540
H -0.360692 -2.267532 -0.880687
H -3.725061 1.135061 0.794835
H 2.656842 2.180070 0.475387
H 2.337859 2.565683 -1.247932
H 1.687886 3.612277 0.036770
H -2.723187 -2.917433 -0.438267
H -4.390950 -1.248945 0.384154
H 3.858775 -2.302131 0.671638


