%chk=000116411.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116411

0 1
 S    1.442600       1.283900       1.460700    
 S   -1.492300       1.291300      -1.456400    
 O    2.626700      -3.296800      0.3459000    
 O   -2.606300      -3.305600     -0.3387000    
 N    1.333500       1.294100      -1.148300    
 N   -1.383300       1.280600       1.152500    
 C    3.628700       1.294000     -0.2262000    
 C   -3.678600       1.282300      0.2304000    
 C    4.151900      -1.388200      0.2335000    
 C   -4.129800      -1.394800     -0.2393000    
 C    4.366500      0.1246000      0.5799000    
 C   -4.340200      0.1175000     -0.5900000    
 C    2.152600       1.291200     -0.1165000    
 C   -2.128900       1.283600      0.1154000    
 C    2.729300      -1.889800      0.5457000    
 C   -2.705900      -1.898900     -0.5417000    
 C    4.208100       2.629000      0.3921000    
 C    4.205900       1.300900      -1.688700    
 C   -4.187200       2.620700     -0.3834000    
 C   -4.182300       1.277100       1.687400    
 C    4.506000      -1.689800      -1.238600    
 C    5.162600      -2.190500       1.095900    
 C   -4.493400      -1.693300       1.231000    
 C   -5.136100      -2.197600      -1.106600    
 C  -0.1079000       1.284500      0.6801000    
 C   5.7999998E-02   1.290200     -0.6759000    
 H    4.145200      0.2484000       1.649800    
 H    5.446500      0.3234000      0.5006000    
 H   -4.102100      0.2409000      -1.655900    
 H   -5.425500      0.2999000     -0.5416000    
 H    1.994800      -1.430500     -0.1198000    
 H    2.442400      -1.673800       1.579900    
 H   -1.974800      -1.439300      0.1273000    
 H   -2.412100      -1.685500      -1.574600    
 H    4.026700       2.692100       1.470800    
 H    3.744000       3.506900     -7.3299997E-02
 H    5.291600       2.700600      0.2403000    
 H    5.288100       1.137900      -1.709100    
 H    4.015900       2.273900      -2.160300    
 H    3.709400      0.5745000      -2.333300    
 H   -4.014800       2.681100      -1.463700    
 H   -3.693700       3.484400      7.8800000E-02
 H   -5.267200       2.735200     -0.2296000    
 H   -5.263400       1.114700       1.747800    
 H   -3.981700       2.246500       2.162600    
 H   -3.667700      0.5497000       2.316300    
 H    3.698500      -1.403200      -1.915900    
 H    4.649300      -2.766600      -1.393100    
 H    5.438300      -1.204100      -1.542300    
 H    4.942400      -2.075600       2.163400    
 H    6.188500      -1.841800      0.9285000    
 H    5.150100      -3.261200      0.8650000    
 H   -3.686300      -1.417700       1.913100    
 H   -4.647000      -2.769200       1.383200    
 H   -5.423800      -1.201700       1.530700    
 H   -4.911400      -2.081800      -2.173000    
 H   -6.163300      -1.851000     -0.9434000    
 H   -5.123300      -3.268500     -0.8766000    
 H    3.015100      -3.734700       1.121800    
 H   -2.988900      -3.744500      -1.117100    


%chk=000116411-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116411

0 1
S 1.474709 1.377992 1.558571
S -1.463465 1.375473 -1.559159
O 2.484713 -3.113171 -0.828745
O -2.464168 -3.118312 0.826724
N 1.411299 1.371706 -1.151339
N -1.400036 1.368248 1.150837
C 3.792736 1.306405 -0.262991
C -3.781324 1.298484 0.262422
C 4.190202 -1.425142 -0.043085
C -4.172918 -1.433713 0.040875
C 4.381906 0.044482 0.477833
C -4.367775 0.035828 -0.479166
C 2.278309 1.348865 -0.149004
C -2.266989 1.344228 0.148479
C 2.726560 -1.695972 -0.501914
C -2.709031 -1.701445 0.500657
C 4.371016 2.562261 0.468438
C 4.189524 1.395048 -1.759849
C -4.362263 2.553609 -0.468248
C -4.178321 1.385374 1.759332
C 5.170415 -1.773577 -1.195164
C 4.515361 -2.356390 1.162626
C -5.153194 -1.785091 1.192013
C -4.494942 -2.364983 -1.165655
C -0.099273 1.387506 0.693127
C 0.110486 1.388034 -0.693666
H 3.998120 0.085534 1.519054
H 5.476077 0.214251 0.552972
H -3.984040 0.078365 -1.520350
H -5.462324 0.203221 -0.554279
H 2.501564 -1.164261 -1.440056
H 2.014114 -1.353238 0.278192
H -2.485981 -1.169848 1.439318
H -1.996784 -1.356534 -0.278672
H 4.166877 2.532684 1.554345
H 3.931884 3.489724 0.060386
H 5.466241 2.602109 0.324610
H 5.285439 1.297027 -1.858385
H 3.882609 2.370111 -2.176496
H 3.702551 0.615939 -2.366138
H -4.157882 2.525185 -1.554133
H -3.925194 3.481734 -0.059501
H -5.457594 2.590958 -0.324551
H -5.274041 1.284993 1.857782
H -3.873416 2.360793 2.176607
H -3.689774 0.606865 2.365133
H 5.060305 -1.096857 -2.057817
H 4.973146 -2.801374 -1.548925
H 6.219938 -1.718214 -0.848173
H 3.749413 -2.270862 1.958512
H 5.491692 -2.089283 1.607820
H 4.581113 -3.413309 0.845151
H -5.045686 -1.108208 2.054878
H -4.953449 -2.812416 1.545762
H -6.202549 -1.732501 0.844087
H -3.728375 -2.277443 -1.960728
H -5.471389 -2.099721 -1.611706
H -4.558788 -3.422206 -0.848795
H 2.444649 -3.632469 0.012953
H -2.422001 -3.636900 -0.015305


