%chk=000061391.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000061391

0 1
 S    6.153300     -0.9016000      0.3439000    
 O  -0.3604000     -0.5980000      -1.865500    
 O    6.105700      -1.953600       1.594700    
 O    6.520000      -1.666000     -0.8395000    
 O    6.938400      0.2522000      0.7541000    
 N   0.5639000      0.9620000     -0.3375000    
 N   0.1271000       2.066600      0.3616000    
 N   -2.648100      0.4413000     -0.2657000    
 N   -3.734000      0.4398000     -0.8910000    
 C   -1.637700       1.247500     -0.9274000    
 C   -1.115100       2.250600      4.4100001E-02
 C  -0.4282000      0.3870000      -1.149500    
 C    1.869800      0.5269000     -0.1784000    
 C    2.327900     -0.6019000     -0.8676000    
 C    2.744700       1.211300      0.6735000    
 C   -1.954000       3.359000      0.5798000    
 C    4.508100     -0.3528000      0.1433000    
 C    3.642300      -1.040300     -0.7074000    
 C    4.059200      0.7731000      0.8338000    
 C   -4.679300     -0.3515000     -0.2171000    
 C   -5.506400      0.2266000      0.7413000    
 C   -4.781700      -1.707600     -0.5120000    
 C   -6.444500     -0.5589000       1.411200    
 C   -5.719900      -2.493100      0.1579000    
 C   -6.551300      -1.918600       1.119500    
 H   -1.950000       1.731600      -1.858200    
 H    1.718900      -1.187700      -1.542200    
 H    2.433300       2.091400       1.230200    
 H   -2.773300       2.944500       1.172800    
 H   -1.353900       4.019700       1.210700    
 H   -2.368600       3.934400     -0.2519000    
 H    3.969200      -1.923600      -1.249000    
 H    4.712900       1.319800       1.507700    
 H   -5.430000       1.285300      0.9745000    
 H   -4.138200      -2.163200      -1.259900    
 H    5.543700      -2.751700       1.454700    
 H   -7.091800     -0.1117000       2.159800    
 H   -5.803200      -3.551900     -6.9200002E-02
 H   -7.281700      -2.530100       1.640900    


%chk=000061391-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000061391

0 1
S 6.445469 -0.864000 -0.260191
O -0.467240 -0.537566 -1.749291
O 6.318543 -2.126217 1.103098
O 6.781506 -1.639580 -1.640317
O 7.391116 0.344937 0.254625
N 0.642689 0.873761 -0.164817
N 0.282182 1.946168 0.728416
N -2.737676 0.420987 0.146926
N -3.828381 0.490261 -0.558547
C -1.660797 1.262220 -0.448133
C -1.010090 2.166435 0.588829
C -0.462350 0.386190 -0.903355
C 1.997372 0.449795 -0.193127
C 2.399181 -0.626378 -1.033441
C 2.945220 1.123770 0.625437
C -1.737365 3.191223 1.397788
C 4.656446 -0.346844 -0.222472
C 3.747425 -1.031670 -1.044052
C 4.292037 0.720078 0.615189
C -4.918001 -0.312561 -0.071676
C -6.126811 -0.177094 -0.801222
C -4.842272 -1.199754 1.038762
C -7.265465 -0.917757 -0.419973
C -5.981930 -1.936220 1.409908
C -7.194613 -1.797183 0.685528
H -2.049027 1.832212 -1.318491
H 1.664958 -1.133435 -1.661989
H 2.613055 1.948008 1.258629
H -2.532931 2.708351 1.995925
H -1.044570 3.713212 2.076268
H -2.231462 3.935626 0.745656
H 4.083083 -1.850297 -1.687810
H 5.041131 1.230211 1.228181
H -6.145536 0.506690 -1.656175
H -3.895791 -1.297836 1.579241
H 7.226651 -2.532987 1.217696
H -8.199500 -0.814220 -0.981784
H -5.933183 -2.624801 2.260516
H -8.075973 -2.376936 0.981242


