%chk=000133079.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133079

0 1
 S   -7.648100      0.4542000      7.0200004E-02
 O    5.125800      -2.028000     -2.2500001E-02
 O   -8.270100     -0.5453000     -0.7871000    
 O   -8.094100      0.6034000       1.448400    
 N    1.012600      -1.171600      4.6200000E-02
 N   -1.757800     -0.4764000      7.7200003E-02
 N   -7.737100       1.975400     -0.7026000    
 C    2.447700     -0.9448000      0.2122000    
 C   0.4621000     -0.2662000     -0.9696000    
 C   0.3100000     -0.9783000       1.320700    
 C    3.176500      -1.227200      -1.096300    
 C   -1.028700     -0.5315000      -1.193600    
 C   -1.185300      -1.268500       1.173000    
 C    4.682100      -1.016500     -0.9443000    
 C    5.055100      0.3877000     -0.4992000    
 C    6.009900      0.5719000      0.5196000    
 C   -3.140200     -0.2591000      7.5300001E-02
 C    6.615800     -0.6199000       1.211500    
 C    6.492900      -1.861900      0.3430000    
 C    4.519600       1.518200      -1.134900    
 C    6.364800       1.866200      0.9241000    
 C   -3.942700     -0.6947000     -0.9981000    
 C   -3.771300      0.4035000       1.147000    
 C    4.888200       2.803700     -0.7346000    
 C    5.805200       2.977800      0.2979000    
 C   -5.320300     -0.4761000      -1.000000    
 C   -5.148900      0.6218000       1.145200    
 C   -5.923500      0.1821000      7.1599998E-02
 H    2.628000      7.8500003E-02  0.5618000    
 H    2.826500      -1.621500      0.9882000    
 H   0.9171000     -0.4074000      -1.952400    
 H   0.6117000      0.7828000     -0.6805000    
 H   0.4495000      4.6900000E-02   1.689800    
 H   0.7161000      -1.657100       2.080500    
 H    2.988000      -2.268000      -1.392500    
 H    2.842500     -0.5950000      -1.921100    
 H   -1.409200      0.2263000      -1.890100    
 H   -1.163600      -1.517100      -1.657700    
 H   -1.344900      -2.335100      0.9682000    
 H   -1.671800      -1.046900       2.129800    
 H    5.170700      -1.212700      -1.907600    
 H    7.671100     -0.4390000       1.443100    
 H    6.073000     -0.7709000       2.152500    
 H    7.117200      -1.802800     -0.5572000    
 H    6.804100      -2.746000      0.9082000    
 H    3.813200       1.415300      -1.953800    
 H    7.083800       2.012800       1.726200    
 H   -3.509700      -1.220800      -1.845100    
 H   -3.185800      0.7683000       1.988100    
 H    4.459900       3.669300      -1.231700    
 H    6.088400       3.978200      0.6110000    
 H   -5.903700     -0.8238000      -1.847900    
 H   -5.596400       1.144500       1.985800    
 H   -8.116700       2.004000      -1.656800    
 H   -7.994400       2.787500     -0.1285000    


%chk=000133079-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000133079

0 1
S -7.841629 0.518994 -0.083867
O 5.152974 -1.987801 0.456896
O -8.373476 0.303651 -1.612167
O -8.532740 -0.201798 1.205220
N 1.009533 -1.080287 0.020286
N -1.861656 -0.623458 -0.020986
N -7.955942 2.328759 0.305665
C 2.459878 -0.829527 0.227742
C 0.394911 -0.176437 -0.977634
C 0.236803 -0.998900 1.281334
C 3.314818 -1.346130 -0.946692
C -1.066108 -0.571216 -1.266006
C -1.219350 -1.431254 1.043995
C 4.830660 -1.157295 -0.720096
C 5.278587 0.303896 -0.559048
C 6.112650 0.705269 0.522230
C -3.245409 -0.396264 -0.039636
C 6.581347 -0.316246 1.551269
C 6.509515 -1.735426 0.966126
C 4.899167 1.264100 -1.531664
C 6.519832 2.060091 0.616973
C -3.945895 -0.155833 -1.269057
C -4.012751 -0.372003 1.173969
C 5.307958 2.610037 -1.428147
C 6.119878 3.013415 -0.342295
C -5.321846 0.130410 -1.284101
C -5.386718 -0.088930 1.165290
C -6.017922 0.166788 -0.065269
H 2.667125 0.255808 0.401625
H 2.774076 -1.372680 1.136355
H 0.958485 -0.234054 -1.925539
H 0.420282 0.888573 -0.628454
H 0.247330 0.037054 1.708112
H 0.692073 -1.680055 2.023221
H 3.119488 -2.425650 -1.077773
H 3.034645 -0.847566 -1.893497
H -1.492351 0.189640 -1.940436
H -1.084751 -1.554464 -1.786138
H -1.226784 -2.503496 0.749555
H -1.777160 -1.334431 1.986685
H 5.366920 -1.586281 -1.599587
H 7.613656 -0.085551 1.878684
H 5.937198 -0.271415 2.451763
H 7.253590 -1.861878 0.149466
H 6.679945 -2.509945 1.731765
H 4.277069 0.957720 -2.381203
H 7.164860 2.363841 1.451156
H -3.426313 -0.222779 -2.227495
H -3.533890 -0.549824 2.139744
H 5.000100 3.337344 -2.187529
H 6.445403 4.055696 -0.252706
H -5.855447 0.284380 -2.227736
H -5.962831 -0.077208 2.095885
H -8.172994 2.832137 -0.571696
H -8.701992 2.428684 1.016041


