%chk=000083527.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083527

0 1
 S    2.687400       1.336000      -1.099500    
 O   -7.221600       2.872100      0.1950000    
 O    7.818000      0.8123000     -0.3668000    
 N   -5.649900     -0.4487000      0.2024000    
 N  -6.5800004E-02 -0.4427000      0.6060000    
 N    2.554700     -0.8049000      0.3326000    
 N   0.4793000      7.7000000E-02 -0.4145000    
 C   -6.423400      0.6663000      0.7116000    
 C   -6.341200      -1.571200     -0.3999000    
 C   -4.243000     -0.4474000      0.3038000    
 C   -6.430800       1.799100     -0.3007000    
 C   -6.327800      -1.474900      -1.916000    
 C   -3.507900      -1.531000     -0.1770000    
 C   -3.586800      0.6377000      0.8850000    
 C   -2.116600      -1.529700     -7.6399997E-02
 C   -2.195600      0.6390000      0.9854000    
 C   -1.467500     -0.4447000      0.5042000    
 C    4.172100      0.6637000     -0.5370000    
 C    3.899000     -0.4827000      0.2154000    
 C    5.484200       1.118300     -0.7460000    
 C    4.979100      -1.197300      0.7777000    
 C    6.534900      0.3926000     -0.1787000    
 C    1.832500      7.9000004E-02 -0.3157000    
 C    6.287800     -0.7503000      0.5737000    
 C    8.848900      3.2600001E-02  0.2353000    
 H   -6.094800       1.001500       1.702900    
 H   -7.464300      0.3620000      0.8868000    
 H   -5.953100      -2.536100     -5.4200001E-02
 H   -7.391000      -1.579900     -7.9300001E-02
 H   -6.868900       1.474200      -1.249100    
 H   -5.429400       2.184900     -0.5099000    
 H   -3.955500      -2.403500     -0.6395000    
 H   -4.098400       1.507700       1.281000    
 H   -6.864500     -0.5859000      -2.260700    
 H   -5.316200      -1.429200      -2.328900    
 H   -6.826800      -2.348000      -2.349400    
 H   -1.550600      -2.377700     -0.4528000    
 H   -1.691300       1.487100       1.440800    
 H    5.679200       2.010900      -1.333200    
 H   -7.212000       3.570400     -0.4816000    
 H    4.796200      -2.091500       1.367100    
 H    7.065300      -1.349800       1.035700    
 H    8.882000     -0.9811000     -0.1783000    
 H    8.770500      3.4400001E-02   1.327900    
 H    9.802200      0.5094000     -1.5699999E-02


%chk=000083527-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000083527

0 1
S 3.034722 -1.365908 -1.556352
O -7.708399 2.209573 1.536170
O 8.150531 -0.590973 -0.593552
N -5.750979 -0.573981 -0.013262
N -0.119567 -0.003146 0.447465
N 2.727416 0.171029 0.662709
N 0.646102 -0.638868 -0.431649
C -6.641678 0.170176 0.897254
C -6.382366 -1.419057 -1.053549
C -4.363544 -0.432186 0.064270
C -6.852783 1.642495 0.485277
C -6.542738 -0.728778 -2.429263
C -3.491950 -1.102299 -0.867463
C -3.748415 0.373218 1.083148
C -2.104313 -0.990038 -0.774869
C -2.356529 0.478235 1.170315
C -1.501814 -0.195433 0.250294
C 4.493293 -0.741034 -0.702234
C 4.100486 0.046493 0.444342
C 5.842092 -0.939897 -1.029515
C 5.106624 0.626796 1.254384
C 6.825898 -0.346113 -0.200871
C 2.016050 -0.475951 -0.248533
C 6.462210 0.433659 0.937217
C 9.223270 -0.004981 0.214412
H -6.253524 0.146636 1.931283
H -7.625661 -0.328692 0.918497
H -5.800061 -2.352235 -1.164404
H -7.376918 -1.718503 -0.676914
H -7.344469 1.696600 -0.508397
H -5.878047 2.168466 0.427283
H -3.912810 -1.712275 -1.671186
H -4.359052 0.908446 1.814719
H -7.208487 0.149647 -2.359977
H -5.569470 -0.389887 -2.824459
H -6.983995 -1.433583 -3.157945
H -1.450002 -1.503701 -1.486147
H -1.886593 1.084553 1.951711
H 6.163898 -1.530202 -1.891086
H -7.855741 3.173082 1.367399
H 4.807098 1.221414 2.122284
H 7.229470 0.886102 1.571304
H 9.202929 -0.390642 1.252094
H 9.161518 1.100397 0.225995
H 10.154897 -0.318653 -0.278698


