%chk=000152554.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152554

0 1
 S    4.213200     -0.6091000     -0.4657000    
 S   -1.116400      -2.244700       1.083900    
 O    3.262400      -1.931700     -0.5954000    
 O  -0.1388000      -2.352100     -0.2209000    
 O    4.536500     -0.1259000      -1.793900    
 O    5.249100     -0.8987000      0.5080000    
 O  -0.3142000      -1.943100       2.253400    
 O   -2.021000      -3.378600       1.057700    
 O   5.1399998E-02   4.122300     -0.3061000    
 O   -5.970300       1.159500      -1.057300    
 O   0.8768000       3.130800      -2.082200    
 O   -5.677800      -1.008500      -1.239300    
 N   0.7943000       3.261900     -0.8371000    
 N   -5.296800      0.1216000     -0.8493000    
 C    1.589700      -3.328000      -1.584200    
 C    2.352900      -2.017500      -1.683700    
 C   0.7901000      -3.425200     -0.2945000    
 C    3.158000      0.6108000      0.2510000    
 C   -2.087200     -0.8030000      0.7764000    
 C    2.400000       1.446100     -0.5694000    
 C   -3.297500     -0.9101000      9.1499999E-02
 C    3.082100      0.7395000       1.637900    
 C   -1.644000      0.4436000       1.218600    
 C    1.566100       2.410300     -2.9000000E-03
 C   -4.064500      0.2293000     -0.1515000    
 C    2.248300       1.703400       2.204400    
 C   -2.411200       1.582900      0.9758000    
 C    1.490200       2.538800       1.383900    
 C   -3.621400       1.475600      0.2907000    
 H    2.289800      -4.170100      -1.626700    
 H   0.9128000      -3.403400      -2.442900    
 H    2.911300      -2.000000      -2.625900    
 H    1.666200      -1.165700      -1.671700    
 H    1.450400      -3.396700      0.5791000    
 H   0.2426000      -4.374000     -0.2769000    
 H    2.462200       1.332500      -1.648500    
 H   -3.627100      -1.886200     -0.2551000    
 H    3.656900      9.4300002E-02   2.296000    
 H  -0.7070000      0.5472000       1.755600    
 H    2.187000       1.801300       3.284300    
 H   -2.067000       2.553000       1.322000    
 H   0.8505000       3.277200       1.860400    
 H   -4.192300       2.384800      0.1198000    


%chk=000152554-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000152554

0 1
S 4.054486 -0.313632 -1.233906
S -1.181709 -1.016971 1.092992
O 3.177276 -1.937051 -0.880675
O -0.340140 -1.824835 -0.359105
O 3.282958 0.428310 -2.453611
O 5.637485 -0.622128 -1.268266
O -0.166765 0.060629 1.751346
O -1.844240 -2.178630 2.004658
O 0.718070 3.479061 2.764477
O -6.796007 -0.199469 -1.965835
O 0.287385 3.023026 0.575169
O -6.008394 -2.097385 -0.972169
N 0.991620 2.896660 1.651764
N -5.900264 -0.860329 -1.316022
C 1.290490 -3.381774 -1.217725
C 2.156646 -2.305910 -1.893567
C 0.596235 -2.906775 0.065019
C 3.633266 0.572928 0.373871
C -2.508491 -0.121855 0.103380
C 2.490856 1.379037 0.377529
C -3.662181 -0.846238 -0.220641
C 4.480196 0.394683 1.481013
C -2.292986 1.225466 -0.229572
C 2.194206 2.029684 1.591666
C -4.650514 -0.141608 -0.937995
C 4.144548 1.067112 2.679412
C -3.315192 1.891458 -0.947195
C 2.996192 1.884936 2.743443
C -4.496982 1.212325 -1.309622
H 1.918524 -4.254371 -0.956313
H 0.534949 -3.721915 -1.951310
H 2.650913 -2.710397 -2.795309
H 1.552018 -1.422507 -2.167589
H 1.336559 -2.502538 0.778796
H 0.021132 -3.726916 0.531344
H 1.861710 1.512750 -0.506528
H -3.813042 -1.889697 0.071178
H 5.372005 -0.235187 1.403377
H -1.378555 1.749847 0.070703
H 4.779380 0.948885 3.562263
H -3.181425 2.942435 -1.218732
H 2.712848 2.406068 3.661556
H -5.298767 1.707216 -1.863969


