%chk=000149245.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149245

0 1
 S   -5.354400     -0.1592000      0.6343000    
 O   -5.755900       1.419900      0.7699000    
 O   -6.210900     -0.7278000     -0.3963000    
 O   -5.321100     -0.7330000       1.970600    
 N   0.2322000     -0.1802000      -1.402200    
 N    3.781300      0.2352000      0.7888000    
 C    1.435800     -3.9200000E-02 -0.6593000    
 C    1.895300       1.237300     -0.3193000    
 C    2.150200      -1.178300     -0.2745000    
 C    3.089300       1.329100      0.4156000    
 C    3.334300     -0.9919000      0.4588000    
 C   -1.064400     -0.1761000     -0.9298000    
 C    1.197400       2.399100     -0.6927000    
 C    1.711700      -2.473100     -0.6023000    
 C    3.551900       2.597200      0.7572000    
 C    4.050100      -2.122100      0.8448000    
 C   -2.162000     -0.1812000      -1.815200    
 C   -1.334500     -0.1657000      0.4545000    
 C    1.681200       3.655000     -0.3387000    
 C    2.445700      -3.586600     -0.2044000    
 C   -3.714000     -0.1657000      3.6499999E-02
 C    2.860900       3.753900      0.3878000    
 C    3.617300      -3.410200      0.5206000    
 C   -3.472500     -0.1759000      -1.337400    
 C   -2.644900     -0.1604000      0.9325000    
 H   0.3648000     -0.2817000      -2.402100    
 H   0.2770000       2.361600      -1.269000    
 H   0.8013000      -2.645500      -1.170800    
 H    4.474100       2.701000       1.326200    
 H    4.971400      -2.010200       1.413700    
 H   -1.992500     -0.1870000      -2.889900    
 H  -0.5284000     -0.1632000       1.184400    
 H    1.141600       4.550800     -0.6300000    
 H    2.105400      -4.585500     -0.4593000    
 H    3.247400       4.729100      0.6687000    
 H    4.197600      -4.272300      0.8358000    
 H   -4.289300     -0.1726000      -2.053500    
 H   -2.808300     -0.1452000       2.006300    
 H   -5.747000       1.932200     -7.2600000E-02


%chk=000149245-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000149245

0 1
S -5.535087 0.412857 0.449478
O -5.629002 2.200782 -0.078529
O -6.537603 -0.441855 -0.492254
O -5.673934 0.359854 2.061717
N 0.186503 -0.579830 -1.246614
N 3.935714 0.212543 0.727201
C 1.399590 -0.297123 -0.554481
C 1.749207 1.031565 -0.157917
C 2.322594 -1.365404 -0.325946
C 3.033047 1.221905 0.516392
C 3.602024 -1.045664 0.300709
C -1.127072 -0.315875 -0.827052
C 0.936226 2.188266 -0.427597
C 2.045055 -2.736543 -0.664280
C 3.400423 2.543365 0.954954
C 4.560947 -2.099419 0.504425
C -2.195706 -0.568231 -1.739834
C -1.424517 0.153992 0.487185
C 1.335529 3.452718 -0.004033
C 2.995413 -3.730987 -0.444712
C -3.778146 0.130065 -0.061417
C 2.570942 3.631872 0.709231
C 4.271184 -3.408258 0.132920
C -3.529207 -0.343520 -1.362237
C -2.756357 0.384429 0.870704
H 0.277329 -1.165360 -2.079956
H -0.000654 2.071526 -0.979041
H 1.062792 -3.008378 -1.066535
H 4.359352 2.645539 1.471696
H 5.513367 -1.822007 0.965921
H -1.973856 -0.929223 -2.750876
H -0.617600 0.325959 1.203657
H 0.706842 4.323024 -0.220661
H 2.766940 -4.771581 -0.699319
H 2.861041 4.633839 1.043215
H 5.007035 -4.203464 0.293396
H -4.357118 -0.539026 -2.050496
H -3.000288 0.730779 1.879805
H -6.547850 2.528467 0.148879


