%chk=000095252.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095252

0 1
 S  -0.4180000       1.474700     -0.7016000    
 O   8.4100001E-02   1.111400      -2.013900    
 O  -0.8472000       2.838800     -0.4541000    
 O    3.682200      -1.044800      5.9700001E-02
 O    3.434800       1.225100      0.3858000    
 N   0.7258000       1.005400      0.5007000    
 C   -1.797400      0.4192000     -0.3557000    
 C    1.503800     -0.2382000      0.2685000    
 C   0.3368000       1.159300       1.925600    
 C   -2.769200      0.8514000      0.5275000    
 C   -1.873000     -0.8143000     -0.9757000    
 C   -3.950900      -1.227700      0.1857000    
 C   -3.855700      2.0500001E-02  0.8007000    
 C   -2.959600      -1.645200     -0.7026000    
 C    2.965700      0.1032000      0.2509000    
 C   -5.112900      -2.116300      0.4771000    
 C    5.104000     -0.8846000      1.8900000E-02
 C    5.746700      -2.238000     -0.1975000    
 H    1.308400     -0.9720000       1.057500    
 H    1.251000     -0.6917000     -0.6937000    
 H  -0.1697000       2.115600       2.083300    
 H    1.234300       1.162900       2.552600    
 H  -0.3142000      0.3421000       2.247800    
 H   -2.710700       1.817100       1.019900    
 H   -1.110000      -1.158900      -1.666400    
 H   -4.622000      0.3571000       1.494000    
 H   -3.023200      -2.615100      -1.188500    
 H   -5.488400      -1.955400       1.493400    
 H   -5.923400      -1.919400     -0.2315000    
 H   -4.830900      -3.172200      0.4037000    
 H    5.372000     -0.2117000     -0.8033000    
 H    5.450500     -0.4574000      0.9665000    
 H    6.836300      -2.152200     -0.2339000    
 H    5.473000      -2.927700      0.6077000    
 H    5.395700      -2.686100      -1.132900    


%chk=000095252-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000095252

0 1
S -0.520403 1.571162 -0.874088
O 0.064179 1.087601 -2.314192
O -1.061880 3.072900 -0.579376
O 3.705023 -0.996927 -0.029259
O 3.506174 0.767541 1.481539
N 0.918758 1.325581 0.340659
C -1.909775 0.373577 -0.399616
C 1.556572 0.014847 0.118329
C 0.515771 1.643246 1.728249
C -2.893662 0.816316 0.500106
C -1.917410 -0.904995 -0.982245
C -3.976795 -1.391416 0.288634
C -3.927427 -0.083510 0.841386
C -2.961929 -1.785588 -0.624350
C 3.006127 0.019967 0.614228
C -5.114287 -2.334607 0.634379
C 5.136443 -1.177195 0.381489
C 5.699459 -2.305152 -0.475390
H 1.033735 -0.828450 0.631239
H 1.567310 -0.193555 -0.966357
H -0.021274 2.606035 1.729331
H 1.450186 1.763690 2.302949
H -0.109030 0.855382 2.207465
H -2.864451 1.837628 0.893626
H -1.152665 -1.186836 -1.713564
H -4.709558 0.237712 1.538849
H -2.994306 -2.787737 -1.067191
H -5.509476 -2.141495 1.646607
H -5.954788 -2.210414 -0.075603
H -4.796953 -3.390566 0.584457
H 5.660499 -0.217960 0.223151
H 5.158041 -1.409523 1.461810
H 6.758819 -2.479029 -0.212482
H 5.142626 -3.243495 -0.311396
H 5.645045 -2.049839 -1.547171


