%chk=000071259.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071259

0 1
 S  -8.3700001E-02   1.279600      0.3426000    
 S    4.628900       2.640500      -1.672200    
 O  -0.5382000      -3.339800      8.1799999E-02
 O   -2.501100      -2.014400      -2.364100    
 O   -4.044600      -2.338000     -0.7079000    
 O    3.082000     -0.6351000       2.546400    
 O    5.972000      -1.298400     -0.6506000    
 N   -1.255700      -1.101700      0.2742000    
 N    1.790300      -1.130000      0.6499000    
 N   -5.004400       1.220700     -0.4789000    
 N   -5.854000      0.2107000     -0.2862000    
 N   -5.252000       2.354500      0.1778000    
 N    4.906300      -1.650900      0.1891000    
 N   -6.354200       2.092500      0.8696000    
 N    5.309600       1.510200      0.5507000    
 N    6.222000       3.662300      0.1957000    
 C  -0.5689000     -0.2299000       1.209800    
 C   0.5014000      -1.339000       1.308800    
 C  -0.4915000      -2.197400      0.4742000    
 C   -2.322300     -0.7166000     -0.4727000    
 C   -2.647000      0.5898000     -0.6212000    
 C   -1.804500       1.733700     -6.1000001E-02
 C   -3.860800       1.092200      -1.365500    
 C   -3.069300      -1.777100      -1.165400    
 C    2.940600     -0.8002000       1.345500    
 C    4.142100     -0.6338000      0.4514000    
 C    4.482100      0.6667000     -0.1347000    
 C   -6.688100      0.8051000      0.5708000    
 C    4.006000       1.076900      -1.343400    
 C   -7.855700      0.1299000       1.142200    
 C    5.461200       2.597600     -0.1721000    
 C    6.751700      -2.460700     -0.8848000    
 H   -1.131200     -7.1400002E-02   2.137700    
 H   0.6218000      -1.734200       2.325300    
 H   -1.734800       2.543700     -0.7943000    
 H   -2.283200       2.135800      0.8384000    
 H    1.859900      -1.221900     -0.3611000    
 H   -3.685500       2.067600      -1.833400    
 H   -4.155200      0.4157000      -2.175900    
 H   -2.969900      -2.717500      -2.862200    
 H    3.348200      0.5695000      -2.035000    
 H   -8.401300      0.7937000       1.820100    
 H   -8.545200     -0.1862000      0.3531000    
 H   -7.552200     -0.7554000       1.709600    
 H    7.154700      -2.845100      5.7300001E-02
 H    7.585100      -2.192600      -1.539600    
 H    6.149900      -3.229700      -1.379200    
 H    6.312700       4.483600     -0.3932000    
 H    6.730800       3.677700       1.073500    


%chk=000071259-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000071259

0 1
S -0.674703 0.687283 -0.912860
S 7.079140 2.487476 2.556169
O 0.283631 -3.056517 1.375329
O -3.649723 -3.791321 -0.052745
O -2.803211 -3.377286 2.070510
O 2.831897 0.878837 2.548267
O 5.065555 -0.101395 -1.583871
N -1.310004 -1.242312 0.970267
N 1.846913 -0.242901 0.768110
N -5.345209 -0.233388 -1.409812
N -6.054368 0.227407 -0.328085
N -5.605444 0.463979 -2.589490
N 3.970269 -0.093646 -0.673933
N -6.522911 1.402277 -2.245538
N 6.457118 1.462342 0.147289
N 8.623292 2.474713 0.198346
C -0.737455 0.115787 0.891744
C 0.614085 -0.463297 1.467373
C -0.065494 -1.871697 1.314299
C -2.483360 -1.698837 0.334180
C -3.087241 -0.939603 -0.644943
C -2.542424 0.401633 -1.117305
C -4.380116 -1.345929 -1.340383
C -2.974318 -3.001478 0.893072
C 2.912980 0.412488 1.370050
C 4.161296 0.515011 0.496158
C 5.351806 1.217387 0.997606
C -6.783899 1.248300 -0.879806
C 5.494444 1.688060 2.306063
C -7.755366 2.096763 -0.124816
C 7.428703 2.098978 0.765091
C 4.644004 -0.839423 -2.796821
H -1.265948 0.870635 1.492377
H 0.763480 -0.167851 2.521236
H -2.737690 0.529107 -2.196548
H -3.055021 1.231203 -0.595858
H 2.012038 -0.599370 -0.180803
H -4.174973 -1.619741 -2.391200
H -4.860181 -2.204112 -0.853494
H -3.928255 -4.640290 0.387598
H 4.768463 1.620515 3.110980
H -8.168102 2.862779 -0.799080
H -8.587693 1.490936 0.273810
H -7.268986 2.597457 0.729982
H 4.376939 -1.879938 -2.543243
H 5.530022 -0.814631 -3.449707
H 3.790783 -0.332776 -3.280160
H 9.336952 2.968485 0.724473
H 8.783086 2.241100 -0.778977


