%chk=000109893.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000109893

0 1
 S  -7.0100002E-02  -1.236200      0.6077000    
 O   -4.460500     -0.8313000      0.2551000    
 O   -2.819700     -1.6799999E-02   2.267500    
 N    1.078000       1.167600      0.3377000    
 C    2.106200      0.2274000      0.1339000    
 C    1.679300      -1.115500      0.2399000    
 C    1.366000       2.586800      0.2610000    
 C  -0.1457000      0.5500000      0.6025000    
 C    3.443800      0.4876000     -0.1491000    
 C    4.330600     -0.5808000     -0.3211000    
 C    2.551400      -2.182000      7.0900001E-02
 C    3.887700      -1.905200     -0.2119000    
 C    1.226100       3.105700      -1.155200    
 C   -1.332000       1.129700      0.8448000    
 C    5.766300     -0.3071000     -0.6242000    
 C   -2.543200      0.2973000       1.109500    
 C   -3.386800     -8.6199999E-02 -3.0500000E-02
 C   -3.254100      0.1948000      -1.339400    
 C   -4.360000     -0.4377000      -1.955700    
 C   -5.063500      -1.048100     -0.9434000    
 H   0.6691000       3.141000      0.9019000    
 H    2.355700       2.829800      0.6640000    
 H    3.816000       1.502600     -0.2456000    
 H    2.212600      -3.209400      0.1552000    
 H    4.582200      -2.731000     -0.3446000    
 H    1.932200       2.615800      -1.833400    
 H   0.2168000       2.930400      -1.542600    
 H    1.418600       4.182700      -1.186700    
 H   -1.470100       2.204400      0.8590000    
 H    6.324300     -0.1587000      0.3056000    
 H    6.221700      -1.136200      -1.176400    
 H    5.872900      0.5881000      -1.246300    
 H   -2.482100      0.7730000      -1.826600    
 H   -4.613000     -0.4475000      -3.006000    
 H   -5.964800      -1.642700     -0.9124000    


%chk=000109893-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000109893

0 1
S -0.289559 -1.064807 -0.148131
O -4.472981 -0.599002 0.458360
O -3.537111 1.922666 1.377637
N 1.074962 1.184637 0.263302
C 2.067285 0.218928 -0.025426
C 1.529704 -1.072893 -0.257608
C 1.415826 2.593878 0.559147
C -0.258878 0.735357 0.230079
C 3.462857 0.423041 -0.102580
C 4.319209 -0.670464 -0.391784
C 2.357751 -2.164555 -0.551856
C 3.756646 -1.954420 -0.614929
C 1.334166 3.503724 -0.684214
C -1.357167 1.530286 0.512447
C 5.824075 -0.468123 -0.440970
C -2.776417 1.194886 0.648901
C -3.361132 0.060958 -0.117029
C -3.175762 -0.416352 -1.413762
C -4.190688 -1.411367 -1.659976
C -4.950242 -1.495642 -0.501559
H 0.741188 2.955886 1.354313
H 2.433030 2.608482 0.985859
H 3.896160 1.416858 0.050911
H 1.936890 -3.158545 -0.732110
H 4.416233 -2.798510 -0.844515
H 2.033641 3.165074 -1.468398
H 0.314994 3.503839 -1.106937
H 1.594469 4.542091 -0.411178
H -1.162804 2.563172 0.823664
H 6.269560 -0.550823 0.569417
H 6.311603 -1.226147 -1.077837
H 6.089442 0.529005 -0.835100
H -2.413434 -0.076091 -2.111108
H -4.340582 -1.983012 -2.573560
H -5.801034 -2.099713 -0.198368


