%chk=000133986.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133986

0 1
 S   -4.155900      -3.791300      0.8379000    
 O  -0.8202000      0.9289000     -0.3712000    
 O    3.149100       3.250300     -0.9990000    
 O    2.206000       1.344800      -1.820900    
 O   -2.233600      -1.573200       1.971400    
 N    1.263800      0.7422000      0.6482000    
 N   -1.402100      -1.632900     -0.1930000    
 C    2.277400     -0.1282000       1.290600    
 C    3.036900      0.6191000       2.408100    
 C    1.593800       2.148100      0.3784000    
 C    3.539700       1.994800       1.993500    
 C    2.380000       2.838500       1.485500    
 C    3.076600     -0.9027000      0.2483000    
 C  -3.8400002E-02  -1.291500      0.1437000    
 C   6.3500002E-02  0.2295000      0.1292000    
 C   0.9306000      -1.906100     -0.8688000    
 C    2.430500      -1.722900     -0.7090000    
 C    2.326600       2.175000     -0.9323000    
 C    4.485200     -0.8496000      0.2329000    
 C    3.216900      -2.432500      -1.644900    
 C    5.240500      -1.562600     -0.6996000    
 C    4.605900      -2.354800      -1.641700    
 C   -2.397600      -1.746000      0.7648000    
 C   -3.744200      -2.141000      0.1669000    
 C   -4.855000      -1.146300      0.5306000    
 C   -4.597200      0.2306000     -3.9099999E-02
 C   -3.882200       1.150000      0.7096000    
 C   -5.081900      0.5439000      -1.297900    
 C   -3.644700       2.420100      0.1840000    
 C   -4.844200       1.813800      -1.823600    
 C   -4.125600       2.752000      -1.082600    
 H    1.753300     -0.9067000       1.854100    
 H    3.857200      1.4500000E-02   2.810600    
 H    2.341200      0.7649000       3.247100    
 H   0.6679000       2.712300      0.2125000    
 H    4.313000       1.915300       1.223200    
 H    4.001900       2.489800       2.855300    
 H    1.694400       3.002200       2.328800    
 H    2.732500       3.837000       1.204800    
 H   0.1346000      -1.683700       1.148000    
 H   0.6730000      -1.523000      -1.867400    
 H   0.7359000      -2.988100     -0.8944000    
 H    5.036200     -0.2501000      0.9508000    
 H   -1.642400      -1.722500      -1.175900    
 H    2.734900      -3.058400      -2.393900    
 H    6.324300      -1.496100     -0.6842000    
 H    5.186200      -2.911200      -2.371200    
 H    3.640200       3.283700      -1.847500    
 H   -3.671500      -2.239000     -0.9217000    
 H   -4.963200      -1.059700       1.620900    
 H   -5.826300      -1.504000      0.1627000    
 H   -5.283000      -3.967800      0.1327000    
 H   -3.508500      0.9078000       1.699800    
 H   -5.640300     -0.1811000      -1.883000    
 H   -3.085400       3.150700      0.7612000    
 H   -5.217900       2.072000      -2.810200    
 H   -3.940100       3.740700      -1.491900    


%chk=000133986-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000133986

0 1
S -3.192856 -2.664407 -2.697572
O 0.297576 1.389884 -1.958663
O 4.620170 2.154443 -2.583018
O 3.522890 0.141924 -2.223453
O -2.169987 -1.942055 0.607129
N 1.875405 1.310853 -0.242124
N -1.267073 -0.476555 -0.948183
C 2.313903 0.712941 1.064198
C 3.120024 1.760928 1.872107
C 2.763225 2.198822 -1.024599
C 4.214871 2.473328 1.049628
C 3.555388 3.190769 -0.144112
C 2.965186 -0.675908 0.893017
C 0.012600 -0.336595 -0.249091
C 0.721637 0.879791 -0.869643
C 0.893450 -1.607893 -0.459896
C 2.256262 -1.724893 0.232990
C 3.651085 1.352932 -1.962389
C 4.244185 -0.952528 1.439927
C 2.859824 -3.006565 0.154029
C 4.834410 -2.229830 1.344107
C 4.133565 -3.268682 0.695550
C -2.273598 -1.279420 -0.475166
C -3.538733 -1.323830 -1.354921
C -4.809030 -1.654305 -0.537381
C -5.254509 -0.482724 0.332988
C -4.777251 -0.336860 1.662030
C -6.149823 0.492933 -0.179028
C -5.187371 0.757059 2.457229
C -6.559232 1.589197 0.613347
C -6.078231 1.724517 1.936400
H 1.384715 0.553594 1.641344
H 3.535681 1.281279 2.775352
H 2.407672 2.531771 2.226151
H 2.102001 2.764171 -1.711589
H 4.974869 1.754203 0.687579
H 4.742373 3.208177 1.685029
H 2.849800 3.955613 0.233327
H 4.301814 3.701441 -0.773522
H -0.199505 -0.209712 0.828547
H 1.057384 -1.707972 -1.551273
H 0.268326 -2.464327 -0.146710
H 4.796332 -0.164690 1.960508
H -1.346840 0.066069 -1.818458
H 2.311520 -3.813489 -0.348033
H 5.825256 -2.410675 1.775102
H 4.570145 -4.270231 0.615607
H 5.126430 1.602661 -3.238946
H -3.656828 -0.370428 -1.899625
H -4.582252 -2.540480 0.080336
H -5.617260 -1.926839 -1.240829
H -4.316627 -2.366553 -3.454582
H -4.078279 -1.081925 2.057979
H -6.538046 0.386582 -1.200514
H -4.814979 0.852433 3.483760
H -7.255206 2.330690 0.204252
H -6.398157 2.570865 2.554969


