%chk=000027275.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027275

0 1
 S    2.716900      -2.444800      -1.186500    
 O    2.845100      0.3736000      -1.494900    
 O  -0.5231000     -4.5699999E-02 -0.3064000    
 O   0.3151000      0.6790000      -2.326800    
 N   -4.205700     -0.2131000     -0.2021000    
 C    2.014700       1.167200      0.5905000    
 C    1.841500      0.1277000     -0.5070000    
 C    3.434200       1.165000       1.177100    
 C    3.766300       2.626000       1.481500    
 C    1.875900       2.574600      9.6900001E-02
 C    2.831300       3.369200      0.5886000    
 C    2.012100      -1.333400     -9.0899996E-02
 C   0.4760000      0.2921000      -1.175400    
 C    1.665400      -1.931500       1.100700    
 C   -1.854200      7.4699998E-02 -0.8179000    
 C   -2.834400     -0.3368000      0.2691000    
 C    1.982700      -3.320300       1.114400    
 C   -4.639400       1.185900     -0.1734000    
 C   -5.107600      -1.038300      0.6053000    
 C    2.559800      -3.731000     -6.7199998E-02
 C   -6.045800       1.336100     -0.7279000    
 C   -5.126800     -0.5761000       2.052400    
 H    1.279800       1.017000       1.392600    
 H    3.493100      0.5516000       2.083500    
 H    4.183500      0.7657000      0.4826000    
 H    3.572200       2.875400       2.529700    
 H    4.812100       2.848700       1.250700    
 H    1.071700       2.931600     -0.5307000    
 H    2.897800       4.430400      0.3976000    
 H    2.719200     -0.2561000      -2.225500    
 H    1.203300      -1.407600       1.927600    
 H   -2.003400       1.114300      -1.126300    
 H   -1.962700     -0.5774000      -1.693200    
 H   -2.635000      0.2503000       1.175100    
 H   -2.599400      -1.377600      0.5315000    
 H   -4.559600       1.659000      0.8118000    
 H   -3.996200       1.777100     -0.8350000    
 H   -4.772300      -2.083000      0.5671000    
 H   -6.121800      -1.064900      0.1932000    
 H    1.796400      -3.984600       1.948100    
 H    2.896200      -4.724900     -0.3266000    
 H   -6.253900       2.395400     -0.9164000    
 H   -6.813000      0.9861000     -3.0900000E-02
 H   -6.164600      0.8080000      -1.680400    
 H   -5.744600      -1.273600       2.631200    
 H   -5.583600      0.4081000       2.187700    
 H   -4.142300     -0.5816000       2.528100    


%chk=000027275-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000027275

0 1
S 3.475640 -2.408724 -0.897670
O 2.862244 0.268413 -1.691187
O -0.507339 -0.117866 -0.302826
O 0.290459 0.346482 -2.439130
N -4.240384 -0.012236 0.008214
C 2.069730 1.037644 0.532562
C 1.913336 -0.021280 -0.620042
C 3.539732 1.137797 1.051056
C 3.771546 2.648288 1.374815
C 1.748264 2.470176 0.120368
C 2.671277 3.347646 0.589353
C 2.173800 -1.431894 -0.114638
C 0.489209 0.078659 -1.226914
C 1.575378 -2.131020 0.923630
C -1.920657 -0.058075 -0.808057
C -2.827321 -0.162196 0.425392
C 2.123586 -3.450947 1.124066
C -4.681750 1.405708 -0.043396
C -5.178429 -0.954609 0.668654
C 3.144375 -3.757967 0.238070
C -5.987128 1.609989 -0.833500
C -5.423794 -0.726744 2.185640
H 1.380112 0.713259 1.339394
H 3.723773 0.478986 1.915875
H 4.216339 0.833612 0.233965
H 3.665942 2.859737 2.459378
H 4.783058 2.988318 1.083139
H 0.849713 2.743875 -0.444453
H 2.630751 4.434601 0.457368
H 2.335138 0.498686 -2.507035
H 0.754214 -1.719460 1.514983
H -2.056870 0.889638 -1.357974
H -2.082484 -0.898195 -1.504013
H -2.511144 0.595772 1.179224
H -2.682067 -1.154706 0.889073
H -4.790703 1.845545 0.979784
H -3.878478 1.981916 -0.540894
H -4.783629 -1.976561 0.511897
H -6.143577 -0.914043 0.131570
H 1.771001 -4.141114 1.894881
H 3.734179 -4.670093 0.162135
H -6.197106 2.689385 -0.945607
H -6.857068 1.154948 -0.326995
H -5.898988 1.162714 -1.839305
H -6.105564 -1.502325 2.581414
H -5.885622 0.257933 2.382111
H -4.479797 -0.782173 2.758825


