%chk=000081096.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081096

0 1
 S   1.1400000E-02   2.588100      0.4762000    
 O  -0.1010000      -2.559600      -1.316600    
 N   3.0000001E-04 -0.5648000     -9.6500002E-02
 C    1.261500      0.1399000     -6.3000001E-02
 C   -1.255800      0.1477000     -7.6700002E-02
 C    1.380500       1.514400      0.1803000    
 C   -1.360700       1.531100      0.1271000    
 C  -4.9999999E-03  -1.962000     -0.2443000    
 C    2.457300     -0.5688000     -0.3291000    
 C   -2.467200     -0.5679000     -0.2284000    
 C   3.7400000E-02  -2.720500       1.065500    
 C    2.649600       2.128900      0.1983000    
 C   -2.622300       2.161500      0.1227000    
 C    3.711300      4.7100000E-02 -0.3134000    
 C   -3.714300      6.3600004E-02 -0.2300000    
 C    3.808800       1.399900     -4.2199999E-02
 C   -3.792100       1.434300     -6.3000001E-02
 C   3.9999999E-04  -4.213000      0.8332000    
 H    2.442800      -1.633600     -0.5520000    
 H   -2.471900      -1.646700     -0.3673000    
 H   0.9521000      -2.450600       1.603600    
 H  -0.8164000      -2.417600       1.680800    
 H    2.748600       3.195100      0.3965000    
 H   -2.708000       3.236000      0.2776000    
 H    4.604900     -0.5362000     -0.5143000    
 H   -4.618600     -0.5228000     -0.3631000    
 H    4.777300       1.889400     -2.6300000E-02
 H   -4.755100       1.934800     -6.1700001E-02
 H   3.7500001E-02  -4.746800       1.788200    
 H   0.8520000      -4.543000      0.2288000    
 H  -0.9169000      -4.512700      0.3151000    


%chk=000081096-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000081096

0 1
S -0.183500 2.061305 1.522914
O -1.688143 -2.586294 0.669019
N -0.357326 -0.699657 0.276900
C 0.948814 -0.099505 0.135219
C -1.492473 0.134100 -0.072573
C 1.186313 1.193326 0.666740
C -1.538442 1.458787 0.431544
C -0.561225 -2.021843 0.763488
C 1.981770 -0.753429 -0.579841
C -2.542531 -0.331010 -0.898622
C 0.594250 -2.719658 1.486796
C 2.455320 1.798513 0.542043
C -2.621473 2.310017 0.128169
C 3.257814 -0.161021 -0.686857
C -3.637646 0.512842 -1.184363
C 3.498921 1.111653 -0.117455
C -3.682113 1.829614 -0.671807
C 0.934132 -4.087579 0.847587
H 1.777282 -1.724383 -1.042945
H -2.508798 -1.352238 -1.280990
H 1.490057 -2.085553 1.568870
H 0.218829 -2.894939 2.513732
H 2.620500 2.800851 0.950513
H -2.631848 3.335180 0.512389
H 4.054581 -0.683444 -1.226417
H -4.455132 0.139619 -1.810002
H 4.485442 1.578392 -0.205691
H -4.529924 2.484253 -0.899424
H 1.652452 -4.640277 1.478409
H 1.384061 -3.968264 -0.155300
H 0.018436 -4.694155 0.743954


