%chk=000088263.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088263

0 1
 S  -0.7967000      -2.986800      0.1610000    
 O  -0.6443000      -3.337700       1.559700    
 O  -0.8222000      -4.017700     -0.8588000    
 N   0.3489000     -0.6024000      0.5238000    
 N   0.3815000      -1.820900     -0.2607000    
 C    1.149700      0.3627000      0.1867000    
 C    1.085100       1.626300       1.036000    
 C    2.155000      0.3316000     -0.9545000    
 C   8.1200004E-02   2.619700      0.5095000    
 C    3.532900     -0.1068000     -0.5244000    
 C   -2.289500      -2.047400      2.6100000E-02
 C   0.4852000       3.573500     -0.4131000    
 C    4.449000      0.8445000     -0.1027000    
 C   -1.230800       2.564900      0.9560000    
 C    3.860000      -1.453700     -0.5585000    
 C   -2.956200      -2.010500      -1.185700    
 C   -2.761200      -1.368400       1.135100    
 C   -4.624700     -0.5787000     -0.1843000    
 C   -4.133600      -1.269900      -1.291800    
 C   -3.938500     -0.6279000       1.029200    
 C  -0.4437000       4.493100     -0.9001000    
 C    5.723300      0.4391000      0.2946000    
 C   -2.159800       3.484400      0.4690000    
 C    5.134000      -1.859100     -0.1612000    
 C   -1.766100       4.448600     -0.4591000    
 C    6.065700     -0.9126000      0.2653000    
 C   -5.884100      0.2120000     -0.2971000    
 H    2.076400       2.087200       1.094200    
 H   0.8280000       1.347200       2.066200    
 H    1.802800     -0.2863000      -1.784900    
 H    2.218200       1.339300      -1.382900    
 H   0.6402000      -1.749700      -1.249800    
 H    1.513200       3.621100     -0.7604000    
 H    4.197200       1.900700     -8.1200004E-02
 H   -1.547700       1.817800       1.678000    
 H    3.146800      -2.200200     -0.8940000    
 H   -2.585500      -2.536400      -2.060000    
 H   -2.239200      -1.388000       2.086800    
 H   -4.659100      -1.239700      -2.242600    
 H   -4.311000     -9.2699997E-02   1.898700    
 H  -0.1370000       5.244400      -1.621900    
 H    6.449200       1.176200      0.6253000    
 H   -3.189900       3.448600      0.8115000    
 H    5.401200      -2.911500     -0.1853000    
 H   -2.489500       5.164400     -0.8385000    
 H    7.058000      -1.228300      0.5740000    
 H   -5.852100       1.096400      0.3484000    
 H   -6.038100      0.5690000      -1.321100    
 H   -6.741700     -0.4038000     -8.6000003E-03


%chk=000088263-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000088263

0 1
S -0.971782 -3.313396 -0.230411
O -0.822855 -4.161198 1.136470
O -0.994536 -4.009606 -1.703621
N 0.389574 -0.994526 0.401331
N 0.574346 -2.133986 -0.358378
C 1.052605 0.118376 0.155413
C 0.795272 1.284234 1.095409
C 2.068556 0.309457 -0.966148
C 0.032880 2.423619 0.413353
C 3.503597 0.019651 -0.510448
C -2.456935 -2.165054 -0.058037
C 0.593318 3.720856 0.308034
C 4.505799 1.015307 -0.621074
C -1.260030 2.192753 -0.126414
C 3.848428 -1.248007 0.029522
C -3.133750 -1.781152 -1.225554
C -2.832755 -1.751123 1.230971
C -4.666593 -0.465450 0.192350
C -4.250057 -0.925135 -1.084543
C -3.948428 -0.895186 1.342341
C -0.120558 4.768849 -0.319389
C 5.832604 0.751936 -0.207870
C -1.974707 3.236858 -0.753198
C 5.173426 -1.510290 0.441251
C -1.407190 4.529774 -0.853046
C 6.170528 -0.513041 0.323710
C -5.855305 0.466585 0.336417
H 1.763301 1.662425 1.476815
H 0.221146 0.899149 1.956933
H 1.818367 -0.336613 -1.833682
H 1.996007 1.352401 -1.322686
H 0.730030 -2.038888 -1.388812
H 1.589805 3.913274 0.725295
H 4.249422 1.997868 -1.036889
H -1.702346 1.191534 -0.051085
H 3.080825 -2.025163 0.129337
H -2.816262 -2.158910 -2.203201
H -2.278189 -2.096549 2.108246
H -4.805067 -0.617539 -1.977892
H -4.264659 -0.553289 2.334648
H 0.325831 5.767268 -0.390344
H 6.598022 1.530699 -0.301735
H -2.972640 3.043676 -1.164315
H 5.427495 -2.492818 0.854567
H -1.961379 5.340011 -1.340004
H 7.197879 -0.720216 0.643402
H -5.538994 1.456529 0.716558
H -6.369863 0.623830 -0.626376
H -6.593684 0.065819 1.054680


