%chk=000086041.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086041

0 1
 S   0.9871000      0.4948000     -0.4005000    
 O   -1.934300       1.283900      0.3383000    
 C   -1.743200      4.1900001E-02 -0.3352000    
 C  -0.4064000     -0.5759000      7.3700003E-02
 C   -2.901300     -0.8684000      5.1800001E-02
 C    2.328000     -0.5182000      0.2626000    
 C    3.670000      0.1419000      9.3000000E-03
 H   -1.774800      0.2320000      -1.413800    
 H  -0.2800000      -1.552500     -0.4048000    
 H  -0.3692000     -0.7072000       1.160600    
 H   -2.831700      -1.835800     -0.4549000    
 H   -2.926400      -1.040700       1.133500    
 H   -3.857000     -0.4038000     -0.2144000    
 H    2.183600     -0.6518000       1.339300    
 H    2.308500      -1.503100     -0.2146000    
 H    3.860000      0.2697000      -1.061900    
 H    3.734500       1.122000      0.4941000    
 H    4.474200     -0.4808000      0.4154000    
 H   -1.889100       1.117400       1.295500    


%chk=000086041-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000086041

0 1
S 0.986844 0.637170 -0.106264
O -2.032520 1.383581 0.123931
C -1.765056 -0.004947 -0.300526
C -0.447475 -0.536174 0.290905
C -2.955212 -0.924290 0.040021
C 2.411877 -0.583411 0.194221
C 3.750077 0.140805 -0.014717
H -1.659334 0.087316 -1.395438
H -0.209595 -1.521588 -0.149985
H -0.525197 -0.649360 1.389701
H -2.823651 -1.932597 -0.394654
H -3.072659 -1.036137 1.135476
H -3.884356 -0.488571 -0.365107
H 2.324977 -0.967794 1.226077
H 2.297969 -1.424633 -0.512787
H 3.831633 0.538066 -1.042202
H 3.859354 0.985028 0.688997
H 4.592786 -0.555589 0.151107
H -2.047961 1.418524 1.115244


