%chk=000082278.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082278

0 1
 S   -7.867500       2.253300     -5.4200001E-02
 S    7.866400       2.252400     -5.4200001E-02
 O   -8.236600       2.155600      -1.644000    
 O    8.234700       2.156100      -1.644200    
 O   -8.903600       1.528400      0.6672000    
 O   -7.582000       3.645100      0.2582000    
 O    7.602400       3.654400      0.2359000    
 O    8.879700       1.519600      0.6891000    
 N   -2.409500      -1.185600     -0.5583000    
 N    2.410300      -1.184700     -0.5586000    
 N   -2.777000     -0.7357000      0.5524000    
 N    2.775700     -0.7360000      0.5523000    
 N   -2.420600      -3.966600      7.4000000E-03
 N    2.422300      -3.966000      6.5000001E-03
 C   -1.203800      -1.893100     -0.4146000    
 C    1.208600      -1.890500     -0.4153000    
 C   -1.207300      -3.257900     -0.1376000    
 C    1.208800      -3.257600     -0.1380000    
 C   3.9999999E-04  -1.207200     -0.5536000    
 C   8.9999998E-04  -3.941200      1.0000000E-03
 C   -6.370000       1.373900      0.1239000    
 C    6.368800       1.373400      0.1239000    
 C   -3.976800     -3.1199999E-02  0.4099000    
 C    3.981300     -2.8100001E-02  0.4090000    
 C   -6.392700      7.1000000E-03  0.4017000    
 C    5.149800       2.037800     -1.0300000E-02
 C   -5.150800       2.038100     -1.0600000E-02
 C    6.391100      6.5000001E-03  0.4012000    
 C   -5.196100     -0.6953000      0.5448000    
 C   -3.954200       1.335500      0.1322000    
 C    3.953100       1.335500      0.1327000    
 C    5.194500     -0.6960000      0.5440000    
 H  -6.0000003E-04 -0.1415000     -0.7715000    
 H   1.1000000E-03  -5.007500      0.2179000    
 H   -7.330100     -0.5322000      0.5039000    
 H    5.108100       3.100300     -0.2329000    
 H   -5.107900       3.100300     -0.2343000    
 H    7.327900     -0.5341000      0.5027000    
 H   -5.223900      -1.760300      0.7603000    
 H   -3.009200       1.861500      2.4200000E-02
 H    3.007700       1.860500      2.5599999E-02
 H    5.220900      -1.760900      0.7588000    
 H   -3.301500      -3.479000     -8.9900002E-02
 H   -2.409500      -4.957500      0.2092000    
 H    2.411400      -4.957200      0.2066000    
 H    3.303000      -3.478600     -9.2799999E-02
 H   -8.387600       1.243800      -1.987600    
 H    7.578200       2.565400      -2.255800    


%chk=000082278-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000082278

0 1
S -7.931151 2.215687 0.871933
S 7.862293 2.331322 0.824789
O -8.261844 1.399033 2.511718
O 8.258870 1.457986 2.420096
O -7.715611 3.799263 1.127691
O -9.036155 1.696343 -0.190683
O 8.948847 1.881731 -0.287392
O 7.616396 3.897764 1.149930
N -2.514752 -1.588707 -0.696812
N 2.493162 -1.552809 -0.707493
N -2.548882 -0.400150 -0.128801
N 2.513675 -0.370112 -0.126835
N -2.436921 -4.050196 -1.778420
N 2.446448 -4.015501 -1.787202
C -1.236060 -2.121840 -0.928464
C 1.221266 -2.104379 -0.933196
C -1.226960 -3.456579 -1.523529
C 1.229037 -3.439047 -1.528390
C -0.011299 -1.482992 -0.646256
C 0.005058 -4.088708 -1.811847
C -6.294910 1.372912 0.563990
C 6.237339 1.462127 0.529822
C -3.859873 0.127782 0.068991
C 3.817520 0.179835 0.056953
C -5.128592 2.003056 1.029502
C 6.254804 0.268870 -0.217138
C -6.305049 0.153942 -0.140487
C 5.070777 2.049598 1.047562
C -3.900160 1.366932 0.768107
C -5.071394 -0.470225 -0.390535
C 5.028605 -0.374318 -0.455647
C 3.849652 1.395735 0.796126
H -0.017616 -0.483052 -0.202974
H 0.011356 -5.091025 -2.254788
H -5.181850 2.959180 1.558533
H 7.198463 -0.123649 -0.609011
H -7.249746 -0.272915 -0.491903
H 5.118199 2.987849 1.608219
H -2.953711 1.805467 1.097796
H -5.024043 -1.413899 -0.939932
H 4.986499 -1.298559 -1.037620
H 2.903126 1.801851 1.164834
H -3.274267 -3.518337 -1.533545
H -2.509106 -4.976385 -2.190482
H 2.530302 -4.940780 -2.199093
H 3.277010 -3.471647 -1.545437
H -9.119346 1.775780 2.866845
H 9.118895 1.838765 2.764674


