%chk=000028643.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028643

0 1
 S   0.3725000      0.9849000     -9.8000001E-03
 O    1.611200      -1.350700      2.0000001E-03
 N   -3.440800     -0.4108000      5.2000000E-03
 C   -1.008500     -0.1948000     -1.7800000E-02
 C   -2.339000      0.5470000      1.1500000E-02
 C    1.734600     -0.1319000      3.9999999E-04
 C    3.070000      0.5563000      8.6000003E-03
 H  -0.9367000     -0.8152000     -0.9183000    
 H  -0.9217000     -0.8490000      0.8570000    
 H   -2.418000       1.164100      0.9135000    
 H   -2.436700       1.205800     -0.8590000    
 H   -3.402800     -0.9722000     -0.8447000    
 H   -4.326000      9.3400002E-02 -2.5300000E-02
 H    3.174700       1.170700      0.9071000    
 H    3.185200       1.172200     -0.8877000    
 H    3.863800     -0.1969000      1.2500000E-02


%chk=000028643-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000028643

0 1
S 0.461801 0.706793 1.181500
O 1.073881 -0.870501 -0.984540
N -3.242844 -0.355052 -0.403349
C -1.141904 -0.248925 0.860719
C -2.031391 0.451075 -0.187264
C 1.500359 0.001910 -0.196037
C 2.897786 0.594574 -0.234558
H -0.838885 -1.250029 0.509021
H -1.656651 -0.331554 1.830440
H -2.331919 1.443831 0.194043
H -1.430300 0.621275 -1.107927
H -3.118216 -1.186868 -0.983870
H -4.097842 0.162134 -0.610828
H 3.435075 0.366073 0.703535
H 2.848092 1.693824 -0.329176
H 3.454757 0.174341 -1.086506


