%chk=000017650.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017650

0 1
 S    5.425700       1.856300     -0.3720000    
 O  -0.8807000       2.006200       1.235000    
 O   -3.607800       2.000600      0.9989000    
 O   -4.844200      0.3225000     -0.8172000    
 O    4.260200      0.2942000       1.935700    
 O  -4.2900000E-02  -4.646300       1.315700    
 N  -0.1824000      -2.340000      0.9614000    
 C   0.7889000      -2.219900     -0.1068000    
 C   0.1784000      -2.563100      -1.484500    
 C  -0.5061000      -1.440100      -2.274900    
 C    1.509900     -0.8780000      2.9100001E-02
 C   -1.328700     -0.5104000      -1.422800    
 C  -0.6928000      0.3509000     -0.5047000    
 C   0.7926000      0.3361000     -0.3904000    
 C   -1.467900       1.190100      0.3102000    
 C   -2.726300     -0.5065000      -1.517600    
 C    2.724700     -0.8834000      0.6100000    
 C    1.385400       1.474100     -0.8022000    
 C   -2.858600       1.183900      0.2038000    
 C   -3.485900      0.3390000     -0.7091000    
 C    3.613600      0.2703000      0.8912000    
 C    2.792600       1.765100     -0.9234000    
 C    3.793300       1.293200     -0.1705000    
 C  -0.4973000      -3.536200       1.560700    
 C  -0.6893000       1.468200       2.540000    
 C   -3.906100       3.299400      0.4927000    
 C   -5.549200     -0.5960000      1.5200000E-02
 C    6.000900      0.6696000      -1.603400    
 H    1.515500      -3.024900      7.6399997E-02
 H  -0.5418000      -3.383100      -1.359400    
 H   0.9743000      -2.965100      -2.126000    
 H   -1.128800      -1.890300      -3.058600    
 H   0.2461000     -0.8526000      -2.817800    
 H   -3.226600      -1.168500      -2.220700    
 H  -0.6692000      -1.511600       1.289900    
 H    3.129400      -1.822200      0.9851000    
 H   0.7683000       2.302300      -1.154700    
 H    3.009400       2.520600      -1.678400    
 H   -1.259700      -3.387000       2.343200    
 H  -1.1300000E-02  0.6100000       2.513000    
 H   -1.646200       1.174100       2.982800    
 H  -0.2408000       2.244000       3.166500    
 H   -4.487100       3.228500     -0.4322000    
 H   -2.985800       3.864800      0.3154000    
 H   -4.502800       3.829300       1.240100    
 H   -5.361400     -0.3814000       1.071900    
 H   -5.257700      -1.625300     -0.2168000    
 H   -6.619200     -0.4830000     -0.1796000    
 H    5.407500      0.7446000      -2.518900    
 H    5.936800     -0.3508000      -1.215000    
 H    7.044900      0.8816000      -1.849100    


%chk=000017650-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000017650

0 1
S 5.356905 2.187867 -0.486559
O -1.001451 1.885721 1.141998
O -3.809214 1.824502 0.932106
O -5.025561 0.006212 -1.004155
O 5.140922 -0.813425 0.168216
O 0.885487 -3.772522 2.373810
N -0.336999 -2.404537 0.907628
C 0.669732 -2.402890 -0.179324
C 0.054198 -2.822115 -1.549621
C -0.575615 -1.654856 -2.360904
C 1.458013 -1.072646 -0.269290
C -1.425712 -0.740523 -1.496564
C -0.780206 0.129250 -0.559986
C 0.717098 0.168043 -0.450715
C -1.601403 0.972621 0.244331
C -2.832771 -0.771112 -1.579957
C 2.838467 -1.216031 -0.146267
C 1.305723 1.436951 -0.551928
C -3.021115 0.961195 0.134973
C -3.644862 0.060858 -0.772189
C 3.996580 -0.309245 -0.134328
C 2.670999 1.849731 -0.580590
C 3.864697 1.136662 -0.442764
C -0.138923 -3.091399 2.091252
C -1.164237 1.536945 2.574639
C -3.705335 3.258218 0.555549
C -5.927775 -0.094376 0.166681
C 6.714483 1.138433 -1.276585
H 1.380121 -3.191731 0.122323
H -0.701344 -3.605589 -1.350594
H 0.851498 -3.284631 -2.161666
H -1.178235 -2.073938 -3.186229
H 0.240147 -1.066116 -2.821726
H -3.334184 -1.435561 -2.290741
H -1.203582 -1.878671 0.776703
H 3.194469 -2.238031 0.049207
H 0.599506 2.264737 -0.677364
H 2.797976 2.925539 -0.768367
H -1.004452 -2.984049 2.785544
H -0.651127 0.580891 2.790149
H -2.235739 1.474265 2.836300
H -0.679366 2.352719 3.131181
H -4.059768 3.402665 -0.481637
H -2.662625 3.604480 0.660811
H -4.361837 3.793224 1.258457
H -5.771456 0.746612 0.860340
H -5.758895 -1.055867 0.688607
H -6.942584 -0.074067 -0.257795
H 6.427688 0.877569 -2.306075
H 6.865216 0.238590 -0.668805
H 7.600250 1.793229 -1.280878


