%chk=000023830.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023830

0 1
 S    4.121000     -1.4200000E-02 -0.1782000    
 O   -4.912800     -0.5768000      -1.361900    
 O    3.967900     -0.3161000      -1.600600    
 O    4.941500       1.159300      0.1185000    
 O    4.372400      -1.174500      0.6754000    
 N   -2.640000      0.3741000      2.9600000E-02
 N   0.1473000     -0.1885000      0.4866000    
 C   -2.210400     -0.8675000      0.7697000    
 C   -1.643200       1.490600      0.2133000    
 C  -0.8201000      -1.276900      0.2947000    
 C  -0.2690000       1.014600     -0.2460000    
 C   -4.033400      0.7964000      0.3995000    
 C    1.483500     -0.6090000      6.6500001E-02
 C   -5.005400     -0.3069000      3.0600000E-02
 C    2.500600      0.4954000      0.3023000    
 H   -2.653500      0.1452000     -0.9743000    
 H   -2.898900      -1.682000      0.5380000    
 H   -2.233900     -0.6485000       1.843300    
 H   -1.648500       1.773600       1.272400    
 H   -1.982100       2.336200     -0.3943000    
 H  -0.5086000      -2.155000      0.8734000    
 H  -0.8629000      -1.581000     -0.7598000    
 H  -0.2764000      0.8359000      -1.329300    
 H   0.3958000       1.860400     -5.2200001E-02
 H   -4.054400       1.022900       1.470500    
 H   -4.247400       1.702100     -0.1782000    
 H    1.481600     -0.9067000     -0.9902000    
 H    1.776200      -1.495400      0.6427000    
 H   -4.870900      -1.229900      0.5990000    
 H   -6.024800      4.1000001E-02  0.2313000    
 H    2.542600      0.7817000       1.358800    
 H    2.313600       1.389100     -0.2997000    
 H   -5.570200      -1.264200      -1.563600    


%chk=000023830-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000023830

0 1
S 4.319150 -0.189431 0.028240
O -4.805049 -0.420585 -1.345414
O 4.286441 -0.599891 -1.571620
O 5.377949 0.986418 0.456641
O 4.182921 -1.468834 1.068078
N -2.745717 0.293503 0.110060
N 0.123951 -0.086283 0.298054
C -2.130527 -0.908561 0.843176
C -1.767267 1.479392 0.114347
C -0.770702 -1.250798 0.219768
C -0.420373 1.042397 -0.471297
C -4.125632 0.671701 0.636315
C 1.541535 -0.429896 -0.058991
C -5.165042 -0.310552 0.076256
C 2.542905 0.672092 0.242594
H -2.919144 0.002708 -0.882922
H -2.842265 -1.747561 0.763259
H -2.005067 -0.607360 1.896588
H -1.648644 1.792389 1.165065
H -2.233428 2.287323 -0.476377
H -0.326998 -2.084220 0.792343
H -0.921977 -1.622458 -0.830729
H -0.538673 0.809070 -1.564745
H 0.280930 1.892163 -0.398730
H -4.103257 0.673820 1.737697
H -4.338478 1.690189 0.271676
H 1.631214 -0.720476 -1.131697
H 1.839362 -1.306009 0.552569
H -5.118078 -1.297831 0.576234
H -6.176473 0.114432 0.217468
H 2.531231 1.007776 1.290672
H 2.584032 1.506564 -0.474795
H -5.461627 -0.945790 -1.861984


