%chk=000049176.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049176

0 1
 S    1.932500     -0.1885000      0.2174000    
 O  -0.8733000     -0.4076000       2.058200    
 O   0.2551000       1.133600      -2.231500    
 O   -2.187500       3.752900      0.6374000    
 N   -1.612500       1.631000       1.310100    
 N   -1.049400       2.400800     -0.8330000    
 C  -0.7479000      1.9400001E-02 -0.3255000    
 C   -2.011700     -0.6475000     -0.8973000    
 C   0.4192000     -0.9774000     -0.3767000    
 C   -2.426900      -1.839100     -4.6999998E-02
 C   -1.049600      0.3769000       1.126500    
 C  -0.4339000       1.218100      -1.215100    
 C   -3.698600      -2.480800     -0.6015000    
 C    3.060400      -1.589700      2.8999999E-02
 C   -1.668200       2.664800      0.3829000    
 C    4.474800      -1.288500      0.5241000    
 C   -4.149400      -3.653800      0.2541000    
 C    5.165700     -0.1554000     -0.2396000    
 C    6.601500      3.0800000E-02  0.2274000    
 H   -2.839300      7.3600002E-02 -0.9376000    
 H   -1.836900     -0.9689000      -1.932700    
 H   0.2551000      -1.848900      0.2624000    
 H   0.5868000      -1.333700      -1.399400    
 H   -2.650200      -1.547300      0.9825000    
 H   -1.650600      -2.609000     -2.0000000E-02
 H   -4.505000      -1.739100     -0.6435000    
 H   -3.524300      -2.829100      -1.626300    
 H   -1.950000       1.844900       2.244400    
 H  -0.9717000       3.182100      -1.478100    
 H    2.663200      -2.438100      0.5963000    
 H    3.094400      -1.877100      -1.027200    
 H    5.072400      -2.203200      0.4226000    
 H    4.451300      -1.051800       1.595600    
 H   -4.367700      -3.333100       1.277800    
 H   -3.378700      -4.430200      0.2938000    
 H   -5.058300      -4.099200     -0.1626000    
 H    5.163900     -0.3763000      -1.313300    
 H    4.633900      0.7915000     -0.1003000    
 H    7.078700      0.8432000     -0.3296000    
 H    7.187600     -0.8798000      6.7699999E-02
 H    6.638000      0.2814000       1.292400    


%chk=000049176-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049176

0 1
S 2.054921 -0.121275 -0.995076
O -0.200794 -0.762049 1.694594
O -0.683003 1.360991 -2.625970
O -1.259961 3.740450 1.324952
N -0.837059 1.445515 1.465064
N -1.018206 2.499607 -0.642178
C -0.764149 -0.001129 -0.580834
C -2.209039 -0.626776 -0.801318
C 0.338076 -0.917006 -1.156587
C -2.414399 -2.057771 -0.259764
C -0.544043 0.178243 0.929423
C -0.783617 1.321595 -1.374094
C -3.887665 -2.507715 -0.411366
C 2.815408 -1.253084 0.343696
C -1.057920 2.640254 0.755134
C 4.138331 -0.654126 0.849269
C -4.116092 -3.954249 0.076151
C 5.251544 -0.558020 -0.220737
C 6.572863 -0.006913 0.356398
H -2.958883 0.049901 -0.342018
H -2.390657 -0.612906 -1.893852
H 0.365250 -1.870512 -0.609509
H 0.156862 -1.093494 -2.227633
H -2.118100 -2.117808 0.804308
H -1.766546 -2.768301 -0.809250
H -4.541432 -1.816674 0.159164
H -4.193801 -2.421329 -1.473893
H -0.786058 1.542074 2.484656
H -1.113222 3.368451 -1.178299
H 2.070679 -1.334842 1.152978
H 2.976165 -2.244866 -0.115677
H 4.496116 -1.290812 1.685435
H 3.947478 0.349039 1.280557
H -3.838718 -4.062490 1.141443
H -3.504302 -4.670452 -0.503892
H -5.175062 -4.252045 -0.030075
H 5.423021 -1.563198 -0.656659
H 4.909201 0.086648 -1.053432
H 7.358040 0.051922 -0.419216
H 6.950729 -0.652111 1.172331
H 6.430946 1.009163 0.770579


