%chk=000124089.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124089

0 1
 S    3.231100      1.9700000E-02  0.6876000    
 O   -2.770300      0.6253000      4.7300000E-02
 N  -0.3050000     -0.5358000     -0.8096000    
 C   -1.262700      -1.259700      2.4700001E-02
 C   0.8978000     -6.4999998E-02 -0.3361000    
 C   -2.037900     -0.2609000      0.8847000    
 C   -2.194100      -2.097700     -0.8518000    
 C    1.260100       1.300900     -0.3483000    
 C    1.859500     -0.8783000      0.1931000    
 C    2.516100       1.491900      0.1843000    
 C   0.4158000       2.407300     -0.8626000    
 C    1.860600      -2.347600      0.3795000    
 C   -3.471000       1.600000      0.8072000    
 H  -0.7460000      -1.949200      0.6994000    
 H  -0.7704000      1.2200000E-02  -1.532100    
 H   -2.734900     -0.7982000       1.539200    
 H   -1.350100      0.3151000       1.515800    
 H   -1.619900      -2.837500      -1.420600    
 H   -2.736400      -1.479900      -1.575800    
 H   -2.927400      -2.634100     -0.2410000    
 H    3.053500       2.422300      0.3050000    
 H   0.9389000       3.368600     -0.8193000    
 H   0.1369000       2.229000      -1.906300    
 H  -0.4993000       2.499700     -0.2693000    
 H    1.456400      -2.610100       1.362600    
 H    1.259900      -2.848800     -0.3866000    
 H    2.870700      -2.766400      0.3096000    
 H   -4.189300       1.119800       1.478600    
 H   -4.017800       2.247100      0.1161000    
 H   -2.771200       2.215400       1.380900    


%chk=000124089-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000124089

0 1
S 3.214586 0.160074 0.952595
O -2.669259 0.676766 0.122708
N -0.274039 -0.632751 -0.911326
C -1.285036 -1.319364 -0.061748
C 0.906612 -0.098412 -0.319527
C -1.972306 -0.341466 0.920427
C -2.307381 -2.040494 -0.961784
C 1.242224 1.326091 -0.382060
C 1.862199 -0.876238 0.336342
C 2.441276 1.616732 0.241563
C 0.359672 2.345821 -1.067681
C 1.904651 -2.368921 0.500895
C -3.366532 1.653503 0.954698
H -0.758787 -2.069659 0.556693
H -0.732754 0.022985 -1.553841
H -2.699263 -0.885139 1.565275
H -1.209184 0.143593 1.568168
H -1.788150 -2.738337 -1.640330
H -2.873582 -1.310277 -1.566873
H -3.033710 -2.609438 -0.353637
H 2.928536 2.583535 0.356202
H 0.717941 3.372606 -0.882549
H 0.345052 2.196707 -2.165944
H -0.686124 2.270343 -0.712109
H 1.435732 -2.718362 1.443200
H 1.364072 -2.840208 -0.341370
H 2.942264 -2.747861 0.491963
H -4.146536 1.168534 1.579437
H -3.844832 2.367363 0.265124
H -2.663743 2.197375 1.621688