%chk=000004608.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004608

0 1
 S   -2.953200       1.937200      -1.228100    
 O   -2.260300     -0.1356000       2.587700    
 O   -4.863400      -1.894100      0.6168000    
 O   -6.666800     -0.5051000      0.7372000    
 O    1.519900       1.124300     -0.5587000    
 O    3.239700      -3.059200     -0.5587000    
 N   -3.084500     -9.5899999E-02  0.3764000    
 N   2.5800001E-02 -0.4395000      0.2393000    
 N    4.275400      -2.157900     -0.3444000    
 C   -2.176100      0.3773000     -0.6725000    
 C   -4.648900       1.268300     -0.8503000    
 C   -4.440600      0.4223000      0.4254000    
 C   -1.092100      0.4936000      0.4075000    
 C   -2.172500     -3.1000001E-03   1.388000    
 C   -5.602000       2.438800     -0.6011000    
 C   -5.117600      0.4588000      -2.068100    
 C   -5.463900     -0.6790000      0.6095000    
 C    1.278100     -4.0500000E-02 -0.2437000    
 C    2.306100      -1.086500     -0.3271000    
 C    3.678000     -0.9708000     -0.2077000    
 C    2.056500      -2.393500     -0.5451000    
 C    4.461400      0.2131000      3.1399999E-02
 C   0.8512000      -3.206300     -0.7584000    
 C    4.750400      0.6015000       1.337600    
 C    4.927100      0.9657000      -1.044300    
 C    5.509200       1.748800       1.569400    
 C    5.686000       2.112900     -0.8124000    
 C    5.977000       2.504400      0.4944000    
 H   -2.016400     -0.3719000      -1.454200    
 H   -4.502100       1.048900       1.326100    
 H  -0.7584000       1.509500      0.6496000    
 H   -5.693800       3.079600      -1.485800    
 H   -6.607100       2.078100     -0.3556000    
 H   -5.268000       3.065600      0.2339000    
 H   -5.120900       1.070200      -2.978500    
 H   -4.484700     -0.4161000      -2.254000    
 H   -6.142300      9.5700003E-02  -1.931000    
 H  -9.0499997E-02  -1.393100      0.5661000    
 H   -5.510400      -2.621800      0.7354000    
 H   0.3888000      -3.476500      0.1957000    
 H   0.1156000      -2.682000      -1.375800    
 H    1.098900      -4.138200      -1.278300    
 H    4.392600      2.3499999E-02   2.186300    
 H    4.708300      0.6743000      -2.068800    
 H    5.735700       2.053900       2.586900    
 H    6.050100       2.701700      -1.649300    
 H    6.567700       3.397800      0.6748000    


%chk=000004608-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004608

0 1
S -3.106323 1.619457 -1.848729
O -1.958432 0.825618 2.479798
O -5.115286 -1.605280 0.942219
O -6.687151 0.064789 1.311890
O 1.426411 1.019352 -1.208904
O 3.311647 -3.152093 -0.409179
N -3.115272 0.220142 0.427151
N 0.066972 -0.341433 0.089988
N 4.360737 -2.179501 -0.083273
C -2.316018 0.233573 -0.826176
C -4.834790 1.122482 -1.091588
C -4.496116 0.698975 0.409297
C -1.043824 0.585021 0.041441
C -2.029989 0.584092 1.262743
C -5.760942 2.349889 -1.117405
C -5.408698 -0.045442 -1.922716
C -5.544519 -0.280563 0.939357
C 1.276827 -0.053824 -0.549082
C 2.320712 -1.108762 -0.408872
C 3.741710 -0.967554 -0.098868
C 2.109105 -2.474141 -0.591420
C 4.561461 0.217528 0.249737
C 0.933168 -3.320273 -0.966714
C 5.670536 0.040638 1.125696
C 4.302879 1.506316 -0.290039
C 6.498534 1.130652 1.458335
C 5.135646 2.594171 0.052193
C 6.233008 2.414295 0.924312
H -2.284408 -0.711171 -1.388582
H -4.577386 1.597641 1.050737
H -0.661126 1.593286 -0.193301
H -5.995567 2.640665 -2.156196
H -6.710629 2.107894 -0.605135
H -5.300339 3.214451 -0.608856
H -5.506297 0.264131 -2.976254
H -4.761917 -0.938813 -1.883887
H -6.414180 -0.327213 -1.554963
H 0.019142 -1.139544 0.726464
H -5.846796 -2.182304 1.295975
H 0.540629 -3.878804 -0.096331
H 0.122095 -2.699087 -1.378494
H 1.230050 -4.064376 -1.725565
H 5.869128 -0.953576 1.538370
H 3.461170 1.649747 -0.973527
H 7.346176 0.981899 2.136223
H 4.926542 3.583066 -0.370291
H 6.874721 3.263184 1.185924


