%chk=000093784.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093784

0 1
 S    2.864200      0.9945000     -0.4845000    
 O   -2.428000      -1.543500      0.1156000    
 O  -0.1988000      -3.087000     -0.4236000    
 O    3.703500      0.1351000      -1.309500    
 O    2.652100       2.379500     -0.8833000    
 O   -2.089600       2.519000     -0.1456000    
 O   -3.222800      0.8992000       1.033800    
 N    3.466500      0.9735000       1.114900    
 C    1.297000      0.2456000     -0.3061000    
 C   -1.076100      0.4312000      0.1078000    
 C   0.1759000       1.029600     -3.4299999E-02
 C    1.166200      -1.137000     -0.4360000    
 C   -1.206800     -0.9514000     -2.2299999E-02
 C  -8.5699998E-02  -1.735600     -0.2941000    
 C   -2.233400       1.269000      0.3900000    
 C    3.640700     -0.3072000       1.815000    
 C   -3.213500      -1.687300      -1.065000    
 C  -4.6000000E-02  -3.866600      0.7609000    
 C   -3.165500       3.439400      6.6100001E-02
 H   0.2915000       2.103400      8.7899998E-02
 H    2.030800      -1.761600     -0.6450000    
 H    3.294300       1.791300       1.712500    
 H    4.417900     -0.1893000       2.575500    
 H    3.956200      -1.098600       1.131000    
 H    2.710900     -0.5915000       2.313900    
 H   -3.399900     -0.7152000      -1.532300    
 H   -4.173700      -2.129100     -0.7851000    
 H   -2.716600      -2.354600      -1.776300    
 H  -0.1671000      -4.920300      0.4956000    
 H  -0.8102000      -3.601300       1.498200    
 H   0.9524000      -3.724900       1.186800    
 H   -2.905400       4.384500     -0.4178000    
 H   -3.303900       3.617500       1.136600    
 H   -4.085200       3.053900     -0.3837000    


%chk=000093784-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000093784

0 1
S 3.000589 0.991620 -0.598097
O -2.454131 -1.625793 0.116826
O -0.133370 -3.214223 -0.339458
O 3.953150 -0.128708 -1.286520
O 2.749220 2.482035 -1.189817
O -1.995035 2.525996 0.561492
O -3.457386 1.015958 -0.438821
N 3.720361 1.273181 1.060274
C 1.292243 0.180675 -0.380521
C -1.097245 0.418828 -0.091076
C 0.182982 1.017211 -0.217336
C 1.215586 -1.219386 -0.411794
C -1.219642 -1.002289 -0.100457
C -0.053441 -1.817671 -0.252201
C -2.309634 1.293658 -0.019577
C 4.058494 0.071743 1.842459
C -3.187800 -2.034710 -1.111272
C -0.658019 -3.929126 0.852072
C -3.108395 3.504796 0.618140
H 0.284759 2.105832 -0.231984
H 2.100229 -1.841195 -0.580933
H 3.191805 2.024872 1.527661
H 4.740044 0.383073 2.653638
H 4.615059 -0.620174 1.188100
H 3.188922 -0.459968 2.285524
H -3.498632 -1.132703 -1.663857
H -4.072786 -2.577623 -0.748266
H -2.555201 -2.695970 -1.731254
H -0.710302 -4.985110 0.548985
H -1.655409 -3.549612 1.128875
H 0.047297 -3.814643 1.696723
H -2.678054 4.388127 1.109437
H -3.947840 3.091215 1.201260
H -3.456521 3.744283 -0.400626


