%chk=000166283.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000166283

0 1
 S   -5.247400       1.235300      0.3708000    
 O   0.3829000       2.879900     -0.2368000    
 O    1.926600     -0.6750000      -2.943600    
 O    4.564500       1.172500       2.141400    
 O   -6.362300      -2.979800      0.4197000    
 O    4.060500      -1.920600      -2.186200    
 O   -5.397000      0.5352000       1.640100    
 O   -6.082200       2.396900      9.4499998E-02
 N   -5.441200      0.1094000     -0.9003000    
 N    2.442300       2.553700       1.564200    
 C    3.300700      0.6874000      0.1946000    
 C    3.172200     -0.1230000     -0.9354000    
 C    5.397400     -0.5888000      0.8713000    
 C    5.268800      -1.399200     -0.2587000    
 C    2.365600       1.700800      0.4371000    
 C    4.417900      0.4840000       1.139400    
 C    4.151600      -1.195800      -1.203300    
 C    1.307300       1.899800     -0.4501000    
 C    2.108800      8.0100000E-02  -1.823100    
 C   -4.605900      -1.099400     -0.9414000    
 C   -5.353700      -2.237200      -1.622200    
 C    1.179200       1.091300      -1.577800    
 C   -3.580400       1.722600      0.1909000    
 C    6.460800     -0.7921000       1.759000    
 C    6.203600      -2.412900     -0.5011000    
 C  -0.9380000       2.494500     -9.3800001E-02
 C   -6.656400      -2.596300     -0.9171000    
 C   -3.254900       2.810000     -0.6198000    
 C   -2.573900       1.024200      0.8581000    
 C    7.389900      -1.803400       1.514000    
 C    7.261800      -2.612100      0.3862000    
 C   -1.923200       3.199000     -0.7634000    
 C   -1.242100       1.413300      0.7146000    
 C   -7.540700      -3.328200       1.133500    
 C   -7.163100      -3.725800       2.544600    
 H   -3.695400     -0.8773000      -1.508200    
 H   -4.310800      -1.401900      6.8000004E-02
 H   -5.573900      -1.969700      -2.662500    
 H   -4.697300      -3.115500      -1.640000    
 H   0.3602000       1.255800      -2.274600    
 H   -5.773900      0.4569000      -1.808300    
 H    6.585200     -0.1767000       2.646000    
 H    6.127300      -3.057600      -1.372400    
 H   -7.352200      -1.749700     -0.9215000    
 H   -7.130200      -3.434600      -1.441100    
 H   -4.021000       3.363900      -1.154800    
 H   -2.804000      0.1754000       1.495700    
 H    8.214700      -1.960800       2.203100    
 H    7.986700      -3.398800      0.1977000    
 H   -1.671000       4.044300      -1.396500    
 H  -0.4799000      0.8642000       1.259100    
 H    3.184300       2.456500       2.242000    
 H    1.739000       3.269000       1.696200    
 H    1.132700     -0.3722000      -3.416500    
 H   -8.041900      -4.165700      0.6356000    
 H   -8.222800      -2.471200       1.162500    
 H   -6.649400      -2.902600       3.052200    
 H   -6.471000      -4.574300       2.534000    
 H   -8.049000      -3.999900       3.124100    


%chk=000166283-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000166283

0 1
S -5.956557 1.503372 0.076032
O 0.055961 2.177668 0.136853
O 1.598957 -1.969655 -1.976631
O 4.751345 1.535842 1.962818
O -5.704888 -2.557461 -0.161361
O 4.021738 -2.814582 -1.372945
O -6.315191 0.399635 1.227747
O -6.633067 2.981918 0.128269
N -6.266018 0.970622 -1.663524
N 2.370232 2.420605 1.466802
C 3.274625 0.351017 0.451990
C 3.071524 -0.781843 -0.428832
C 5.626256 -0.470761 0.982351
C 5.434635 -1.586849 0.124273
C 2.236250 1.328946 0.648623
C 4.548601 0.531696 1.173055
C 4.149409 -1.796416 -0.618860
C 0.998172 1.138573 -0.053624
C 1.827086 -0.901430 -1.107814
C -5.842715 -0.372053 -2.133850
C -6.862679 -1.528863 -2.016034
C 0.799689 0.066253 -0.916313
C -4.085760 1.660515 0.053063
C 6.857992 -0.308000 1.667928
C 6.479169 -2.530937 -0.039570
C -1.337451 1.930157 0.081250
C -7.027605 -2.081902 -0.595941
C -3.529369 2.838897 -0.472161
C -3.321790 0.621650 0.609586
C 7.890124 -1.249613 1.499456
C 7.699697 -2.365408 0.642411
C -2.126174 2.973617 -0.455094
C -1.917902 0.758193 0.622572
C -5.702624 -2.958808 1.256209
C -4.298726 -3.458455 1.596601
H -5.568731 -0.228399 -3.198262
H -4.917703 -0.657238 -1.601412
H -7.850878 -1.210012 -2.405006
H -6.508776 -2.349731 -2.670134
H -0.149430 -0.027660 -1.457499
H -7.242650 1.239567 -1.875680
H 6.973511 0.562144 2.321038
H 6.302310 -3.380352 -0.706607
H -7.392035 -1.303716 0.106253
H -7.750109 -2.927773 -0.599348
H -4.176247 3.627852 -0.867814
H -3.815507 -0.253910 1.042669
H 8.840416 -1.122338 2.029042
H 8.503817 -3.097731 0.512069
H -1.635101 3.868190 -0.847447
H -1.290420 -0.022583 1.061866
H 3.276586 2.518102 1.952721
H 1.598417 3.079642 1.547473
H 0.689293 -1.906974 -2.368460
H -6.452702 -3.765181 1.416001
H -5.988226 -2.086094 1.880687
H -3.548818 -2.662790 1.435576
H -4.025845 -4.319095 0.961637
H -4.247715 -3.772258 2.655002


