%chk=000106117.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000106117

0 1
 S   -2.980500       2.257300      0.8110000    
 O   -1.942900       2.720900     -9.7000003E-02
 O   -4.171600       3.065100       1.025600    
 O   -6.988800      -2.363000     -0.5924000    
 O   -7.466400     -0.3357000      0.1012000    
 N    4.924000      0.7769000     -0.3710000    
 N  -0.4681000     -0.6571000     -0.8548000    
 N   -1.156200     -2.6400000E-02 -1.9200001E-02
 N   -6.634300      -1.217300     -0.2233000    
 N    7.867700      -2.596100       1.502900    
 C    3.566600      0.4119000     -0.4895000    
 C    5.801500      5.6699999E-02  0.5301000    
 C    5.455400       1.885700      -1.138300    
 C    3.064000     -0.6566000      0.2528000    
 C    1.721700      -1.017300      0.1354000    
 C    2.727000       1.119800      -1.349400    
 C   0.8820000     -0.3093000     -0.7245000    
 C    6.279300      -1.246300     -0.1021000    
 C    5.294400       3.180400     -0.3651000    
 C    1.384600      0.7593000      -1.466900    
 C   -3.470700      0.6594000      0.2909000    
 C   -2.490300     -0.2974000     -6.3600004E-02
 C    1.205700      -2.164500      0.9411000    
 C   -4.831400      0.3575000      0.2378000    
 C   -5.249400     -0.9090000     -0.1708000    
 C   -2.945800      -1.571600     -0.4736000    
 C   -2.238000       1.989900       2.403600    
 C   -4.306600      -1.873500     -0.5266000    
 C    7.167000      -1.999900      0.7959000    
 H    5.345000     -0.1010000       1.515500    
 H    6.683700      0.6742000      0.7517000    
 H    6.530500       1.726000      -1.297100    
 H    5.053600       1.958200      -2.153900    
 H    3.675500      -1.231100      0.9399000    
 H    3.047200       1.970000      -1.940500    
 H    5.441900      -1.889500     -0.3912000    
 H    6.818700      -1.022600      -1.031200    
 H    5.741100       4.010800     -0.9214000    
 H    5.788300       3.125000      0.6109000    
 H    4.240900       3.420600     -0.1906000    
 H   0.7369000       1.319300      -2.136700    
 H    2.014100      -2.713300       1.436200    
 H   0.5226000      -1.806100       1.718000    
 H   0.6796000      -2.881200      0.3014000    
 H   -5.562200       1.110800      0.5185000    
 H   -2.244500      -2.358900     -0.7436000    
 H   -1.951700       2.963700       2.807700    
 H   -2.971600       1.519600       3.061300    
 H   -1.351500       1.363400       2.300100    
 H   -4.595800      -2.871600     -0.8459000    


%chk=000106117-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000106117

0 1
S -3.163795 2.458092 -0.342304
O -2.031976 2.619210 -1.509084
O -4.587865 3.255665 -0.479476
O -7.203035 -2.577335 0.028227
O -7.715214 -0.366511 -0.237241
N 4.979039 0.731444 -0.145182
N -0.432986 -0.881450 0.228305
N -1.341309 0.078681 0.174620
N -6.871376 -1.331181 -0.081049
N 8.441700 -2.764233 -0.354940
C 3.641344 0.354743 -0.038351
C 6.070837 -0.191642 0.199232
C 5.380686 2.086017 -0.601644
C 3.268664 -0.978479 0.345541
C 1.929042 -1.384993 0.443557
C 2.584282 1.287224 -0.331607
C 0.892243 -0.428439 0.161532
C 6.447650 -1.120751 -1.002331
C 5.401601 3.131440 0.535524
C 1.251002 0.901822 -0.232999
C -3.671911 0.623982 -0.076398
C -2.680796 -0.375533 0.113351
C 1.583405 -2.801916 0.853522
C -5.038868 0.356185 -0.152417
C -5.432371 -0.994087 -0.018670
C -3.123562 -1.728308 0.234413
C -2.379514 2.968501 1.322684
C -4.489359 -2.035175 0.170950
C 7.547816 -2.035700 -0.661770
H 5.802844 -0.805366 1.076096
H 6.956461 0.401191 0.486209
H 6.390226 2.001534 -1.044498
H 4.713170 2.412391 -1.418541
H 4.037825 -1.723661 0.568303
H 2.814140 2.307717 -0.647422
H 5.564362 -1.708708 -1.312254
H 6.745386 -0.503035 -1.870336
H 5.722132 4.113769 0.144054
H 6.105632 2.834421 1.333342
H 4.402748 3.249022 0.989450
H 0.445653 1.597706 -0.494618
H 2.486657 -3.432344 0.913953
H 1.083363 -2.819154 1.838942
H 0.876004 -3.255502 0.138283
H -5.765388 1.160109 -0.314875
H -2.367947 -2.505714 0.376551
H -2.120858 4.029326 1.196323
H -3.148543 2.818864 2.092952
H -1.503858 2.318232 1.447107
H -4.853182 -3.061974 0.264284


