%chk=000105107.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105107

0 1
 S   0.4244000      -1.637000       2.436800    
 S    2.470600      -3.298300       1.095200    
 O   -3.494700      -1.648900      -1.263000    
 O  -0.8106000      -2.214500      -1.793800    
 O   -3.148500     -0.5963000       1.388400    
 O   -4.156600       1.755000      -1.220600    
 O   -3.895500       2.793000       1.380800    
 N    1.211300      -1.123500     -0.1082000    
 C   -2.491300     -0.6820000     -0.9580000    
 C   -1.161900      -1.411500     -0.6692000    
 C   -2.981900      0.1987000      0.2159000    
 C  -1.7500000E-02 -0.4311000     -0.3963000    
 C   -4.318400      0.9133000     -8.0700003E-02
 C   -4.825800       1.764500       1.083500    
 C    2.313900     -0.8351000      -1.046300    
 C    3.145200      0.3307000     -0.5949000    
 C    1.406200      -1.992700       1.001700    
 C    2.806200       1.615700      -1.002500    
 C    4.245400      0.1139000      0.2266000    
 C    3.578300       2.699000     -0.5829000    
 C    5.017400       1.197300      0.6462000    
 C    4.683700       2.489800      0.2414000    
 H   -2.366800     -6.8499997E-02  -1.857900    
 H   -1.311100      -2.114400      0.1551000    
 H   -2.227800      0.9614000      0.4321000    
 H   0.1124000      0.2208000      -1.267700    
 H  -0.2365000      0.2210000      0.4529000    
 H   -5.099500      0.1772000     -0.3062000    
 H   -4.986000       1.166300       1.985000    
 H   -5.772700       2.247100      0.8191000    
 H    1.907100     -0.6650000      -2.051400    
 H    2.959000      -1.713200      -1.154600    
 H   -3.163300      -2.191100      -1.999100    
 H  -0.6919000      -1.624200      -2.557500    
 H   -3.794600      -1.293200       1.181800    
 H   -4.131000       1.185700      -2.007900    
 H    1.950600       1.792900      -1.647600    
 H    4.526700     -0.8850000      0.5435000    
 H   -3.755000       3.305100      0.5661000    
 H    3.319300       3.705300     -0.8990000    
 H    5.879600       1.034400       1.286300    
 H    5.285300       3.333200      0.5675000    
 H   0.8956000      -2.632700       3.201400    


%chk=000105107-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000105107

0 1
S -0.487039 -2.281523 2.638617
S 2.166772 -3.647813 1.828174
O -2.653900 0.467700 -2.048334
O -0.154136 -0.251528 -2.070055
O -3.693277 -1.567156 -0.580555
O -4.776571 1.455512 -0.733008
O -3.238118 2.651669 1.169165
N 1.123835 -1.407895 0.616806
C -2.103300 0.301516 -0.682344
C -0.829510 -0.580471 -0.782732
C -3.242296 -0.362930 0.129898
C 0.100228 -0.356069 0.426940
C -4.421282 0.604576 0.421730
C -4.154959 1.584783 1.590217
C 2.233102 -1.447399 -0.387669
C 2.906450 -0.098910 -0.588945
C 1.036241 -2.394669 1.572706
C 3.094424 0.416077 -1.897317
C 3.394353 0.642869 0.518668
C 3.763237 1.647204 -2.097380
C 4.054027 1.874700 0.320279
C 4.239765 2.382163 -0.988613
H -1.869216 1.296257 -0.254302
H -1.122244 -1.639598 -0.877331
H -2.859253 -0.746813 1.092542
H 0.617840 0.617457 0.314380
H -0.505927 -0.269383 1.343793
H -5.288752 -0.037767 0.671852
H -3.680168 1.079388 2.448621
H -5.121711 2.017839 1.918020
H 1.826441 -1.823851 -1.344463
H 2.954335 -2.195045 -0.008772
H -1.875467 0.390883 -2.673175
H 0.540396 0.444187 -1.921017
H -3.820126 -1.303276 -1.531934
H -4.208610 1.209713 -1.520517
H 2.749158 -0.165216 -2.762220
H 3.259980 0.246969 1.532623
H -3.629273 2.980138 0.311892
H 3.910333 2.028542 -3.113903
H 4.428761 2.437106 1.182587
H 4.754386 3.337103 -1.140492
H -0.119631 -3.373940 3.397567


