%chk=000052451.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052451

0 1
 S   0.1963000     -0.9448000     -0.8933000    
 O   -2.165300      -3.754000      0.5378000    
 N  -7.4699998E-02  -3.826700     -0.3701000    
 C    2.464800      6.6600002E-02  0.2881000    
 C    1.148500     -0.5912000      0.5980000    
 C   -2.529200      0.4433000      0.1077000    
 C   -1.206000      -1.673300     -0.1741000    
 C    2.540100       1.451900      0.2243000    
 C    3.589000     -0.7191000      7.0100002E-02
 C   -2.309200     -0.9906000      0.2146000    
 C   -2.152300       1.286400       1.153100    
 C   -3.116900      0.9752000      -1.040100    
 C    3.761100       2.062200     -6.2899999E-02
 C    4.810000     -0.1087000     -0.2170000    
 C    4.895800       1.282000     -0.2835000    
 C   -2.363400       2.661500       1.050900    
 C   -3.327800       2.350400      -1.142200    
 C   -2.951100       3.193400     -9.6699998E-02
 C   -1.209800      -3.164600      3.5300002E-02
 H    1.325600      -1.522300       1.149900    
 H   0.5703000      5.2700002E-02   1.269600    
 H    1.662200       2.069300      0.3934000    
 H    3.533300      -1.803100      0.1181000    
 H   -3.152200      -1.516400      0.6588000    
 H   -1.697400      0.8876000       2.056500    
 H   -3.416500      0.3312000      -1.863400    
 H    3.828000       3.145000     -0.1151000    
 H    5.693700     -0.7161000     -0.3892000    
 H    5.846500       1.757200     -0.5072000    
 H   -2.070700       3.317900       1.865200    
 H   -3.785500       2.764800      -2.035700    
 H   -3.115400       4.264000     -0.1763000    
 H   0.7172000      -3.345900     -0.7848000    
 H   8.1000002E-03  -4.832500     -0.2653000    


%chk=000052451-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052451

0 1
S 0.309311 -1.182072 -0.956660
O -2.297153 -3.748047 0.875383
N -0.272876 -4.047199 -0.225042
C 2.597804 0.143780 0.052812
C 1.294538 -0.428713 0.542283
C -2.476871 0.470817 0.343941
C -1.192225 -1.772520 -0.041366
C 2.673984 1.494351 -0.378191
C 3.768525 -0.657385 0.003644
C -2.206005 -0.971376 0.420407
C -3.588951 0.952015 1.101279
C -1.740581 1.414172 -0.435861
C 3.893008 2.033069 -0.844718
C 4.988941 -0.120862 -0.462472
C 5.054274 1.226219 -0.888904
C -3.944815 2.315053 1.097180
C -2.106556 2.775148 -0.447677
C -3.202595 3.235893 0.321138
C -1.306958 -3.259718 0.242520
H 1.429143 -1.256954 1.254646
H 0.631699 0.336004 0.976853
H 1.774893 2.122013 -0.341646
H 3.720830 -1.701896 0.335066
H -2.967471 -1.551582 0.968613
H -4.172717 0.239199 1.696512
H -0.905247 1.064907 -1.050598
H 3.939525 3.078240 -1.170299
H 5.886406 -0.748777 -0.491103
H 6.000879 1.643713 -1.249736
H -4.799219 2.658385 1.690496
H -1.538476 3.481763 -1.063430
H -3.477424 4.296516 0.310373
H 0.503490 -3.628572 -0.741996
H -0.324009 -5.052286 -0.068946


