%chk=000012932.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012932

0 1
 S   -2.796800      0.9557000      -1.160000    
 S    1.488300      5.5999998E-03 -0.9581000    
 S    4.909800      0.2061000      -1.751700    
 P    3.532700      3.0000000E-03 -0.3689000    
 O    3.766300      -1.338200      0.5369000    
 O    3.684500       1.110800      0.8244000    
 O   -2.569800      0.1620000      -2.352700    
 O   -3.184000       2.348800      -1.273400    
 N   -1.441800      0.8429000     -0.1406000    
 C  -0.9388000     -0.4859000      0.2743000    
 C   0.5617000     -0.4411000      0.5242000    
 C    4.149400      -2.558900     -7.4699998E-02
 C    3.981800       2.462100      0.5145000    
 C   -4.043200      0.1510000     -0.1988000    
 C    2.933200      -3.193000     -0.7324000    
 C    4.767400      -3.471700      0.9733000    
 C    4.607400       3.128900       1.730200    
 C    2.707600       3.166700      7.4500002E-02
 C   -4.827600      0.8908000      0.6863000    
 C   -4.242400      -1.223900     -0.3252000    
 C   -5.810600      0.2558000       1.445200    
 C   -5.225600      -1.858700      0.4336000    
 C   -6.009700      -1.118900       1.318900    
 H   -1.165000      -1.241500     -0.4855000    
 H   -1.447400     -0.7722000       1.201200    
 H   0.7927000      0.2934000       1.303000    
 H   0.9034000      -1.417100      0.8792000    
 H    4.919200      -2.393800     -0.8317000    
 H    4.719200       2.530700     -0.2881000    
 H   -1.255300       1.613500      0.5133000    
 H    2.096300      -3.270600     -3.1300001E-02
 H    3.167600      -4.197400      -1.100100    
 H    2.595300      -2.606600      -1.590300    
 H    4.054800      -3.678400       1.779400    
 H    5.089000      -4.422300      0.5373000    
 H    5.634400      -2.988100       1.436400    
 H    3.925600       3.095500       2.587200    
 H    4.864200       4.173000       1.527000    
 H    5.516700       2.597000       2.030700    
 H    1.892100       2.990100      0.7841000    
 H    2.864600       4.246400     -1.6600000E-02
 H    2.375900       2.803600     -0.9017000    
 H   -4.685000       1.960900      0.8063000    
 H   -3.641900      -1.819900      -1.006400    
 H   -6.420000      0.8313000       2.135800    
 H   -5.380200      -2.929300      0.3361000    
 H   -6.774700      -1.613400       1.910200    


%chk=000012932-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000012932

0 1
S -2.162729 -1.158250 -1.262418
S 1.793193 1.613916 -1.723046
S 5.191229 0.225170 -1.435369
P 3.345545 0.416781 -0.516301
O 2.497921 -1.010294 -0.025799
O 3.288772 1.177916 1.051384
O -1.033424 -2.277245 -0.919970
O -3.022785 -1.124918 -2.638056
N -1.276617 0.437595 -1.225047
C -0.413320 0.697286 -0.059155
C 0.522816 1.884831 -0.337565
C 2.734160 -2.307955 -0.777448
C 4.417736 2.090956 1.457039
C -3.403060 -1.172310 0.183122
C 2.189250 -2.228095 -2.208611
C 2.025259 -3.354812 0.085364
C 4.364791 2.093597 2.987044
C 4.234463 3.476557 0.822877
C -4.717526 -0.751814 -0.079704
C -2.954588 -1.614023 1.439253
C -5.633677 -0.758385 0.997866
C -3.886343 -1.609731 2.503932
C -5.216345 -1.179116 2.283397
H 0.189344 -0.207870 0.131195
H -0.992245 0.935642 0.864358
H -0.031292 2.786029 -0.657341
H 1.093131 2.122294 0.576422
H 3.831347 -2.466141 -0.781847
H 5.360285 1.631021 1.098342
H -1.928833 1.182728 -1.515340
H 1.107348 -2.015735 -2.196048
H 2.346377 -3.202306 -2.708355
H 2.709461 -1.456270 -2.802533
H 0.934846 -3.185113 0.062764
H 2.229116 -4.362721 -0.320915
H 2.385593 -3.315162 1.127400
H 3.408384 2.515910 3.342557
H 5.189923 2.710194 3.388415
H 4.464424 1.068635 3.381057
H 3.271210 3.921630 1.130822
H 5.048069 4.148412 1.153364
H 4.261683 3.420407 -0.279106
H -5.015388 -0.461686 -1.092895
H -1.929265 -1.975120 1.570968
H -6.669191 -0.444527 0.830331
H -3.575001 -1.949792 3.497009
H -5.932750 -1.183417 3.111887


