%chk=000096987.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096987

0 1
 S   0.4221000      -2.085200      6.0000003E-04
 S   -5.579800       2.953800     -6.0000001E-03
 O   -5.206800      -2.167400      2.6100000E-02
 N   -3.254700       1.493900     -4.4000000E-03
 N   -2.261300      -1.872600      1.2000000E-02
 N   -5.324400      0.1901000      1.1800000E-02
 N   -1.222700      9.4800003E-02 -5.1000002E-03
 C    5.474300     -0.5682000     -7.2200000E-02
 C    4.032200     -5.7399999E-02 -3.2800000E-02
 C    6.517600      0.5529000     -6.6500001E-02
 C    3.032700      -1.218300     -1.7000001E-02
 C    7.959600      4.2300001E-02 -3.1500001E-02
 C    1.597000     -0.7015000     -1.3500000E-02
 C    8.954900       1.201000      4.6100002E-02
 C   -3.241000     -0.9211000      1.0400000E-02
 C   -2.582200      0.2752000      9.9999997E-05
 C   -1.100100      -1.189300      2.2000000E-03
 C    10.38840      0.6998000      0.1198000    
 C   -4.656200      -1.069800      1.7500000E-02
 C   -4.688700       1.501100       0.000000    
 C   -2.468800       2.735600     -1.5500000E-02
 C   -6.792000      0.1102000      1.7999999E-02
 H    5.647100      -1.220300      0.7932000    
 H    5.618200      -1.185900     -0.9674000    
 H    3.847700      0.5789000     -0.9067000    
 H    3.887100      0.5654000      0.8582000    
 H    6.342600       1.194200      0.8064000    
 H    6.375300       1.181500     -0.9541000    
 H    3.202000      -1.850500     -0.8979000    
 H    3.213800      -1.837300      0.8708000    
 H    8.158000     -0.5597000     -0.9263000    
 H    8.093100     -0.6144000      0.8367000    
 H    1.427900     -7.7799998E-02  0.8712000    
 H    1.419100     -8.9299999E-02 -0.9044000    
 H    8.744900       1.814800      0.9299000    
 H    8.842700       1.847200     -0.8322000    
 H   -2.386900      -2.876700      1.8800000E-02
 H    11.08290       1.544200      0.1728000    
 H    10.54160      7.7600002E-02   1.007400    
 H    10.64210      0.1062000     -0.7643000    
 H   -1.393300       2.537900     -1.4000000E-02
 H   -2.716100       3.325000      0.8728000    
 H   -2.717200       3.309400     -0.9137000    
 H   -7.157100     -0.9198000      2.6900001E-02
 H   -7.175800      0.6166000      0.9091000    
 H   -7.182500      0.6036000     -0.8775000    


%chk=000096987-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096987

0 1
S 0.427665 -2.188866 -0.021185
S -5.607324 2.953244 -0.094525
O -5.444869 -2.168970 0.132963
N -3.338614 1.448189 -0.079666
N -2.353112 -1.963056 0.045745
N -5.405276 0.216595 0.027941
N -1.282757 0.047505 -0.067217
C 5.547825 -0.558508 -0.052663
C 4.085864 -0.063164 0.030063
C 6.584674 0.581030 0.068172
C 3.063024 -1.223725 -0.050748
C 8.045554 0.085464 -0.024932
C 1.621193 -0.700157 0.005301
C 9.086520 1.219782 0.114328
C -3.350613 -0.978212 0.026472
C -2.660734 0.238035 -0.042378
C -1.132477 -1.304514 -0.012886
C 10.542695 0.715027 0.020380
C -4.777569 -1.091482 0.068631
C -4.746425 1.466498 -0.046234
C -2.579057 2.713616 -0.158545
C -6.886473 0.223208 0.067390
H 5.728330 -1.303054 0.750639
H 5.700445 -1.093136 -1.013191
H 3.895575 0.658864 -0.790565
H 3.939532 0.492470 0.979106
H 6.438160 1.109435 1.033445
H 6.401332 1.332268 -0.728464
H 3.222945 -1.789735 -0.989446
H 3.245171 -1.926606 0.786343
H 8.197491 -0.432548 -0.995057
H 8.226779 -0.674440 0.764105
H 1.409536 -0.141080 0.930606
H 1.363190 -0.070953 -0.860806
H 8.934285 1.736155 1.084146
H 8.905678 1.979456 -0.673565
H -2.521922 -2.967488 0.098498
H 11.266780 1.544449 0.120102
H 10.759437 -0.020686 0.817928
H 10.728343 0.219370 -0.951307
H -1.509380 2.456508 -0.167949
H -2.821955 3.351668 0.706934
H -2.857946 3.262822 -1.072917
H -7.214464 -0.825054 0.124100
H -7.235645 0.793017 0.943997
H -7.284111 0.711459 -0.837289


