%chk=000096608.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096608

0 1
 S   0.1618000      -1.964100     -1.4000000E-03
 O   -5.576000      -1.731600      2.4599999E-02
 O   -5.406000       2.884800      7.9999998E-04
 N   -2.545700      -1.658100      1.0100000E-02
 N   -3.357600       1.755000     -3.1999999E-03
 N   -1.399500      0.2566000     -4.9000001E-03
 N   -5.450400      0.5820000      1.2100000E-02
 C    5.242300     -0.5446000     -7.3399998E-02
 C    3.810200     -6.0999999E-03 -3.3300001E-02
 C    6.306900      0.5562000     -6.6699997E-02
 C    2.788600      -1.147600     -1.8500000E-02
 C    7.738800      1.7999999E-02 -3.2499999E-02
 C    1.363100     -0.6033000     -1.4300000E-02
 C    8.756200       1.157200      4.6200000E-02
 C   -3.473400     -0.6576000      8.9999996E-03
 C   -1.342900      -1.039100      1.3000000E-03
 C   -2.745400      0.5046000     -9.9999997E-05
 C    10.17990      0.6285000      0.1191000    
 C   -4.899300     -0.7080000      1.6200000E-02
 C   -2.829300      -3.076400      1.8300001E-02
 C   -4.771200       1.826400      3.1000001E-03
 C   -2.551100       2.967100     -1.2500000E-02
 H    5.402500      -1.200700      0.7913000    
 H    5.374100      -1.164000     -0.9692000    
 H    3.637900      0.6345000     -0.9065000    
 H    3.677300      0.6185000      0.8584000    
 H    6.144400       1.199900      0.8069000    
 H    6.176600       1.188400     -0.9537000    
 H    2.945500      -1.782100     -0.9000000    
 H    2.957900      -1.770900      0.8686000    
 H    7.925400     -0.5869000     -0.9278000    
 H    7.859900     -0.6420000      0.8351000    
 H    1.207300      2.2600001E-02  0.8713000    
 H    1.198000      1.3100000E-02 -0.9048000    
 H    8.558300       1.774100      0.9306000    
 H    8.656400       1.806300     -0.8314000    
 H    10.89040       1.459200      0.1729000    
 H    10.32120      2.6000000E-03   1.006000    
 H    10.42200      3.0999999E-02 -0.7656000    
 H   -1.975500      -3.645100      0.3887000    
 H   -3.672400      -3.267200      0.6865000    
 H   -3.073500      -3.379000      -1.003000    
 H   -6.465600      0.6324000      1.6600000E-02
 H   -1.925300       2.971100     -0.9103000    
 H   -3.177600       3.862700     -1.3900000E-02
 H   -1.917100       2.979500      0.8793000    


%chk=000096608-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096608

0 1
S 0.141633 -2.034283 0.011476
O -5.793461 -1.716790 0.059394
O -5.474773 2.963953 -0.079843
N -2.625609 -1.710776 0.032504
N -3.443516 1.768593 -0.059381
N -1.475717 0.272571 -0.031194
N -5.540096 0.625375 -0.010579
C 5.310744 -0.543628 -0.053791
C 3.861880 -0.017411 0.061393
C 6.373131 0.571330 0.073968
C 2.807864 -1.148242 -0.033300
C 7.822465 0.050084 -0.052821
C 1.382136 -0.585393 0.048867
C 8.886573 1.162480 0.088085
C -3.582959 -0.677706 0.009969
C -1.385425 -1.089211 0.005199
C -2.839993 0.516256 -0.028297
C 10.331468 0.633449 -0.040155
C -5.021535 -0.708076 0.023113
C -2.899506 -3.157007 0.075647
C -4.855714 1.863924 -0.051994
C -2.627579 2.996168 -0.103783
H 5.486877 -1.308410 0.731211
H 5.437174 -1.061235 -1.027356
H 3.678524 0.729200 -0.738665
H 3.741797 0.518712 1.025296
H 6.252300 1.082507 1.052013
H 6.192462 1.342502 -0.704042
H 2.941779 -1.698019 -0.985624
H 2.978895 -1.874451 0.786187
H 7.948197 -0.453218 -1.034375
H 8.002699 -0.726965 0.719518
H 1.197886 -0.034869 0.985085
H 1.132911 0.067163 -0.802285
H 8.760505 1.664379 1.069185
H 8.706251 1.939098 -0.683235
H 11.072161 1.448080 0.059548
H 10.549103 -0.118857 0.741483
H 10.490610 0.150364 -1.022828
H -2.438529 -3.606047 0.972725
H -3.990925 -3.296296 0.111339
H -2.494155 -3.651597 -0.824376
H -6.561403 0.708240 -0.004673
H -2.000091 3.002517 -1.010839
H -3.317994 3.852303 -0.114515
H -1.970946 3.047141 0.780747


