%chk=000156443.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000156443

0 1
 S   0.9404000       1.816600     -0.8718000    
 O   -4.117300      0.1031000     -0.6308000    
 O   -1.025900      0.8640000       2.089500    
 O   -4.138700      -4.863100      0.4768000    
 O   -2.408400      -5.642200     -0.7741000    
 O   -3.029600       4.518000      -1.467600    
 O   -2.364500       2.469900      -2.182400    
 O    7.116700     -0.5267000      0.2267000    
 O    6.043300      -2.429200      8.7000001E-03
 N   -2.591200       1.493800      0.4700000    
 N  -0.7172000       3.704800       2.341500    
 N  -0.8064000      -3.579300     -3.9299998E-02
 N    6.060600      -1.174400      2.6900001E-02
 C   -2.931600      -2.299100      4.0000002E-03
 C   -2.306600     -0.9900000      0.4994000    
 C  -0.6718000       2.999700       1.057900    
 C   -2.175600      -3.549400      0.4734000    
 C   -3.099400      0.2345000      5.4699998E-02
 C   -1.429600       1.678600       1.254400    
 C   0.7954000       2.749100      0.6868000    
 C   -3.347900       2.658200      6.6000000E-03
 C   -2.878400      -4.795800     -2.7400000E-02
 C   -2.863000       3.183000      -1.320200    
 C    2.467000      0.9248000     -0.6034000    
 C    3.652700       1.624100     -0.3777000    
 C    2.472100     -0.4699000     -0.6197000    
 C    4.843400      0.9286000     -0.1681000    
 C    3.662800      -1.165400     -0.4103000    
 C    4.848500     -0.4662000     -0.1844000    
 H   -2.986100      -2.287400      -1.093500    
 H   -3.972400      -2.344700      0.3507000    
 H   -1.284300     -0.8839000      0.1234000    
 H   -2.297400      -1.022800       1.593100    
 H   -1.100500       3.652800      0.3026000    
 H   -2.141900      -3.595700       1.568000    
 H    1.288900       2.180200       1.484300    
 H    1.334900       3.696200      0.5737000    
 H   -4.409300       2.410300     -0.1015000    
 H   -3.274300       3.449600      0.7600000    
 H   -1.679500       3.965100       2.554500    
 H  -0.1964000       4.578300       2.271400    
 H  -0.2762000      -2.796400      0.3399000    
 H  -0.3349000      -4.419000      0.2963000    
 H    3.671100       2.711100     -0.3649000    
 H    1.557000      -1.031000     -0.7931000    
 H    5.748100       1.506300      3.5999999E-03
 H    3.628900      -2.251700     -0.4298000    
 H   -4.613700      -5.663600      0.1672000    
 H   -2.704800       4.834600      -2.337400    


%chk=000156443-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000156443

0 1
S 1.959048 3.358831 -0.589109
O -3.661154 -0.027803 -0.245881
O -0.099513 1.226795 1.585800
O -2.070800 -5.153229 1.691074
O -1.985694 -5.543433 -0.598658
O -3.649499 3.719576 -2.206036
O -1.782224 2.341575 -2.373587
O 4.311099 -2.819517 1.070704
O 2.827938 -3.412632 -0.551467
N -2.078964 1.562747 0.354101
N -1.369296 4.204782 1.842269
N -0.259492 -3.233761 -0.896458
N 3.428146 -2.522733 0.177096
C -2.190037 -2.331183 0.394926
C -1.557449 -0.941869 0.587483
C -0.535444 3.510166 0.834507
C -1.072310 -3.415513 0.312050
C -2.510527 0.177702 0.224657
C -0.869905 1.993371 0.943671
C 0.983442 3.747148 1.005908
C -3.010763 2.551244 -0.221984
C -1.733999 -4.802276 0.376227
C -2.711392 2.820358 -1.691870
C 2.395674 1.589599 -0.339822
C 3.296176 1.209774 0.686568
C 1.854020 0.618955 -1.216605
C 3.645086 -0.141369 0.853735
C 2.192609 -0.739854 -1.058653
C 3.081461 -1.100180 -0.020576
H -2.784355 -2.354378 -0.536302
H -2.878284 -2.562574 1.227773
H -0.661227 -0.864449 -0.062810
H -1.180163 -0.800370 1.615040
H -0.822664 3.882412 -0.164715
H -0.421650 -3.319207 1.200860
H 1.394224 3.134640 1.824708
H 1.177340 4.816739 1.196533
H -4.031948 2.138645 -0.160235
H -2.979591 3.482125 0.371976
H -1.243090 3.868347 2.802341
H -1.357825 5.227252 1.777933
H 0.695458 -3.606043 -0.826152
H -0.739426 -3.562344 -1.743140
H 3.727061 1.972162 1.343122
H 1.147347 0.925335 -1.994228
H 4.337362 -0.464662 1.635203
H 1.747564 -1.510454 -1.691835
H -2.527792 -6.038396 1.694496
H -3.467575 3.876346 -3.172036


