%chk=000109915.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000109915

0 1
 S   -3.882800       2.655000     -0.3455000    
 O    2.816900      -1.509500     -8.8999998E-03
 O   -2.226400      -2.148500      0.1629000    
 O    1.152000       3.598800      0.4551000    
 O   0.3015000       1.843600       1.614200    
 N    3.777300      0.5506000     -0.3677000    
 N   -1.532800       1.222300     -0.3586000    
 N   -3.375600     -8.4700003E-02 -0.1037000    
 C   -1.092000     -6.5399997E-02 -0.1577000    
 C    4.787000     -0.3908000     -0.2347000    
 C    2.576100     -0.1312000     -0.2294000    
 C    4.039100       1.949000     -0.5999000    
 C    4.194000      -1.642900     -1.6700000E-02
 C   -2.279600     -0.9393000      1.1800000E-02
 C   -2.954200       1.258400     -0.2996000    
 C   0.1620000     -0.5205000     -0.1115000    
 C    1.319600      0.3255000     -0.2758000    
 C  -0.6219000       2.344600     -0.5517000    
 C   -4.716700     -0.5724000     -3.2600001E-02
 C    6.160800     -0.2790000     -0.2823000    
 C    4.915300      -2.802200      0.1581000    
 C    4.382500       2.639800      0.7058000    
 C    6.921400      -1.442100     -0.1079000    
 C    6.304800      -2.690100      0.1100000    
 C   -5.008400      -1.700300      0.7342000    
 C   -5.733500      7.8900002E-02 -0.7306000    
 C   0.3086000       2.552700      0.6153000    
 C   -6.317500      -2.176800      0.8033000    
 C   -7.042500     -0.3978000     -0.6614000    
 C   -7.334700      -1.525600      0.1056000    
 H    4.854900       2.082400      -1.320800    
 H    3.170100       2.439800      -1.050100    
 H   0.3317000      -1.577300      7.6499999E-02
 H    1.316400       1.274300     -0.7644000    
 H   -1.205200       3.267600     -0.6229000    
 H  -0.1263000       2.249200      -1.522400    
 H    6.655700      0.6709000     -0.4499000    
 H    4.432900      -3.757500      0.3251000    
 H    3.607600       2.476000       1.461500    
 H    5.326200       2.270600       1.119800    
 H    4.486700       3.717900      0.5486000    
 H    8.006400      -1.382800     -0.1410000    
 H    6.922000      -3.574900      0.2419000    
 H   -4.260700      -2.211100       1.331800    
 H   -5.554400      0.8880000      -1.426900    
 H   -6.547300      -3.049200       1.408100    
 H   -7.830900      9.3999997E-02  -1.224000    
 H   -8.353300      -1.898700      0.1567000    
 H    1.722800       3.734000       1.240700    


%chk=000109915-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000109915

0 1
S -4.086071 2.666997 -0.473559
O 2.900723 -1.562860 -0.194468
O -2.133344 -2.081984 0.145851
O 0.822445 4.006828 0.367692
O -0.513185 2.870084 1.903726
N 4.004831 0.425007 -0.405172
N -1.632252 1.393689 -0.364837
N -3.357470 -0.025237 -0.125643
C -1.044678 0.111973 -0.198172
C 4.990398 -0.584425 -0.321079
C 2.734402 -0.160057 -0.310250
C 4.259517 1.874417 -0.455607
C 4.300560 -1.815711 -0.200402
C -2.162276 -0.835029 -0.031474
C -3.034480 1.329651 -0.324107
C 0.275895 -0.305484 -0.194321
C 1.487125 0.443346 -0.323822
C -0.936861 2.655272 -0.539932
C -4.686080 -0.573349 -0.024903
C 6.395772 -0.551753 -0.346354
C 4.940762 -3.049510 -0.105890
C 4.312190 2.519499 0.945946
C 7.069107 -1.798013 -0.252437
C 6.362123 -3.020105 -0.135533
C -4.971736 -1.485388 1.018369
C -5.679359 -0.232078 -0.972303
C -0.232127 3.135203 0.722560
C -6.260758 -2.051712 1.113904
C -6.968190 -0.796506 -0.861018
C -7.264154 -1.707049 0.179618
H 5.213425 2.026481 -0.991117
H 3.470389 2.346046 -1.067840
H 0.371969 -1.391370 -0.059098
H 1.481107 1.530803 -0.421161
H -1.722784 3.407232 -0.783694
H -0.227313 2.620075 -1.382692
H 6.954883 0.384592 -0.431792
H 4.378437 -3.981808 -0.014140
H 3.358527 2.372291 1.482011
H 5.120581 2.080845 1.556160
H 4.498291 3.604414 0.852917
H 8.163732 -1.812008 -0.268823
H 6.916521 -3.960863 -0.064350
H -4.191350 -1.754390 1.734664
H -5.447520 0.472849 -1.774676
H -6.479520 -2.759051 1.921133
H -7.738511 -0.526580 -1.591574
H -8.265337 -2.144702 0.259808
H 1.207244 4.402728 1.196282


