%chk=000023696.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023696

0 1
 S  -0.5571000       1.207800     -0.3165000    
 O  -0.5189000      0.6805000      -1.668200    
 O  -0.2557000       2.603000     -5.3599998E-02
 N   -4.562800       1.376600      0.1748000    
 C   0.5127000      0.2173000      0.6885000    
 C   0.1081000      -1.227800      0.5389000    
 C    1.938000      0.6637000      0.4432000    
 C   0.3979000      -2.006200     -0.5929000    
 C    2.867700      7.4900001E-02 -0.4360000    
 C    1.221400      -1.462900      -1.725500    
 C    2.643600      -1.162100      -1.275900    
 C   -2.168800      0.8682000      0.3506000    
 C   -3.241000       1.675800     -0.3622000    
 C  -0.6480000      -1.813000       1.575900    
 C    2.347900       1.809800       1.171300    
 C  -6.6699997E-02  -3.332700     -0.6653000    
 C    4.167900      0.6283000     -0.5226000    
 C   -1.100300      -3.130000       1.495500    
 C    3.628300       2.348000       1.057200    
 C  -0.8104000      -3.890800      0.3716000    
 C    4.544000       1.752100      0.2088000    
 C   -4.860000     -5.1300000E-02  4.7899999E-02
 C   -5.587800       2.170400     -0.5056000    
 H   0.2770000      0.5114000       1.721600    
 H    1.319600      -2.275300      -2.462300    
 H   0.8102000     -0.6729000      -2.334700    
 H    3.243300      -1.065600      -2.191900    
 H    3.056000      -2.019000     -0.7256000    
 H   -2.327900     -0.1994000      0.1988000    
 H   -2.144600       1.096900       1.420600    
 H   -3.025500       2.743400     -0.2281000    
 H   -3.200600       1.481800      -1.442400    
 H  -0.8989000      -1.237300       2.464700    
 H    1.657900       2.295000       1.860400    
 H   0.1535000      -3.947500      -1.535000    
 H    4.909100      0.1727000      -1.177600    
 H   -1.681000      -3.555900       2.308100    
 H    3.905300       3.224000       1.635700    
 H   -1.160200      -4.916200      0.3009000    
 H    5.547900       2.154100      0.1148000    
 H   -4.286500     -0.6523000      0.7604000    
 H   -4.689200     -0.4276000     -0.9673000    
 H   -5.909800     -0.2458000      0.3004000    
 H   -6.572900       1.991000     -6.0800001E-02
 H   -5.644800       1.942200      -1.576100    
 H   -5.384400       3.241000     -0.3910000    


%chk=000023696-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000023696

0 1
S -0.649257 1.223839 -0.199879
O -0.569881 0.924659 -1.823915
O -0.485705 2.788339 0.310179
N -4.815859 1.224936 -0.183963
C 0.964775 -0.074784 1.001960
C 0.446378 -1.442658 0.832783
C 2.207235 0.540187 0.519220
C 0.640558 -2.238939 -0.343619
C 3.113119 -0.016549 -0.448157
C 1.462380 -1.725475 -1.510924
C 2.918887 -1.373655 -1.109339
C -2.473926 0.735596 0.292114
C -3.438352 1.666480 -0.470106
C -0.362088 -1.960560 1.890302
C 2.502850 1.827887 1.077151
C 0.043965 -3.519733 -0.402158
C 4.271189 0.723388 -0.788036
C -0.944758 -3.239615 1.816050
C 3.655597 2.543936 0.718875
C -0.740583 -4.027291 0.659376
C 4.553422 1.984636 -0.219501
C -5.360706 0.256136 -1.149959
C -5.761529 2.283361 0.208308
H 0.604487 0.396734 1.928912
H 1.491830 -2.506043 -2.293042
H 0.974822 -0.834686 -1.954980
H 3.548321 -1.400684 -2.018356
H 3.307890 -2.171857 -0.442941
H -2.566770 -0.322768 0.003576
H -2.533159 0.868747 1.383222
H -3.287027 2.702240 -0.118952
H -3.194853 1.642980 -1.554601
H -0.516562 -1.347573 2.787444
H 1.795848 2.267223 1.788880
H 0.192990 -4.127947 -1.302192
H 4.964016 0.300515 -1.525721
H -1.550242 -3.618001 2.646337
H 3.848034 3.529223 1.155249
H -1.189094 -5.023985 0.583224
H 5.457851 2.528428 -0.514013
H -4.628154 -0.549316 -1.333179
H -5.612105 0.719536 -2.135450
H -6.277860 -0.206934 -0.742972
H -6.691537 1.826675 0.593610
H -6.037495 2.965288 -0.633355
H -5.325444 2.896385 1.016040


