%chk=000068792.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068792

0 1
 S    6.409800     -0.2985000     -0.3540000    
 O   0.5926000      0.8105000      5.7000001E-03
 O   -6.147400      0.5142000      0.1543000    
 O   -5.381100      -1.536000     -6.2100001E-02
 N   -2.761700     -0.5988000     -3.8500000E-02
 N   -2.003500       1.480800      0.1411000    
 N   -5.179700     -0.2931000      5.2700002E-02
 C   -1.684300      0.2241000      1.2400000E-02
 C  -0.2883000     -0.3089000     -7.6800004E-02
 C   -3.868800      0.1953000      6.6600002E-02
 C   -2.745700      -2.037800     -0.1791000    
 C   -3.375400       1.474100      0.1768000    
 C    1.927100      0.5560000     -7.6399997E-02
 C    2.378900     -0.7541000     -0.2342000    
 C    2.843000       1.605400     -3.4000000E-03
 C    4.662500      3.4499999E-02 -0.2459000    
 C    3.746600      -1.014900     -0.3190000    
 C    4.210700       1.344700     -8.8100001E-02
 C    6.664800      -1.397600       1.067900    
 H  -0.1171000     -0.9891000      0.7664000    
 H  -0.1725000     -0.8136000      -1.043700    
 H   -1.720700      -2.408100     -0.2406000    
 H   -3.215200      -2.485500      0.7005000    
 H   -3.260400      -2.309700      -1.104200    
 H   -3.932700       2.394500      0.2795000    
 H    1.724600      -1.616800     -0.2982000    
 H    2.496800       2.628100      0.1195000    
 H    4.076100      -2.042700     -0.4488000    
 H    4.909400       2.175700     -2.8899999E-02
 H    6.139200      -2.345100      0.9247000    
 H    6.311400     -0.9201000       1.985800    
 H    7.732900      -1.606300       1.171500    


%chk=000068792-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000068792

0 1
S 6.533426 -0.663285 -0.532484
O 0.613115 0.569021 0.060583
O -6.198058 0.945353 0.385626
O -5.705898 -1.229506 -0.153540
N -2.916603 -0.582529 -0.093192
N -1.993858 1.455765 0.368957
N -5.358610 -0.005287 0.128993
C -1.744771 0.157526 0.046242
C -0.385384 -0.464865 -0.149737
C -3.967416 0.324261 0.161646
C -3.015813 -2.016392 -0.435987
C -3.371785 1.564736 0.442160
C 1.961713 0.188429 -0.085427
C 2.405667 -1.116710 -0.409227
C 2.894000 1.236485 0.114569
C 4.730497 -0.328216 -0.323415
C 3.794470 -1.365492 -0.521172
C 4.270551 0.977261 -0.012224
C 7.060505 -0.709780 1.286857
H -0.237205 -1.300376 0.570821
H -0.298139 -0.885288 -1.176709
H -2.000530 -2.421639 -0.564349
H -3.533909 -2.568651 0.362449
H -3.586462 -2.151951 -1.367099
H -3.871711 2.498203 0.685114
H 1.704592 -1.940693 -0.573476
H 2.517798 2.235513 0.353116
H 4.150197 -2.371348 -0.766386
H 4.992746 1.790251 0.116319
H 6.557849 -1.540966 1.804042
H 6.820081 0.248023 1.772886
H 8.150845 -0.866654 1.287542


