%chk=000006531.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006531

0 1
 S    1.607200      0.5989000      -1.203900    
 S   -1.606400     -0.5968000      -1.189900    
 S    4.878000      0.4624000      -2.440900    
 S   -4.897100     -0.4764000      -2.428500    
 P    3.646800      6.8999998E-02 -0.9646000    
 P   -3.656700     -7.6600000E-02 -0.9616000    
 O    1.351000      0.3979000       1.442000    
 O   -1.333000     -0.3803000       1.453100    
 O    3.693600      -1.506700     -0.5304000    
 O    4.153600      0.7091000      0.4524000    
 O   -4.153000     -0.7138000      0.4604000    
 O   -3.703800       1.500200     -0.5313000    
 C   0.7629000     -0.1355000      0.2452000    
 C  -0.7528000      0.1462000      0.2493000    
 C   0.7520000     -0.1539000       2.612600    
 C  -0.7261000      0.1778000       2.616700    
 C    3.326400      -2.516700      -1.455500    
 C    4.287500       2.113100      0.5977000    
 C   -4.283200      -2.117700      0.6104000    
 C   -3.344700       2.508400      -1.461700    
 C    3.463500      -3.869100     -0.7893000    
 C    4.769100       2.420100       1.999700    
 C   -4.754900      -2.421800       2.016400    
 C   -3.480000       3.862400     -0.7982000    
 H   0.9526000      -1.215700      0.2372000    
 H  -0.9433000       1.226200      0.2360000    
 H   0.9207000      -1.236800       2.621300    
 H    1.246800      0.2800000       3.486300    
 H  -0.8948000       1.260700       2.620600    
 H   -1.215000     -0.2514000       3.496000    
 H    2.292800      -2.361800      -1.778100    
 H    3.978800      -2.473700      -2.332000    
 H    5.009600       2.495200     -0.1292000    
 H    3.321200       2.594000      0.4208000    
 H   -5.009300      -2.503100     -0.1106000    
 H   -3.317100      -2.597200      0.4284000    
 H   -2.313100       2.354400      -1.790700    
 H   -4.002900       2.461600      -2.333600    
 H    4.492600      -4.030200     -0.4516000    
 H    2.824400      -3.927300      9.8099999E-02
 H    3.187200      -4.673500      -1.476700    
 H    4.062600       2.034400       2.742200    
 H    5.730700       1.933100       2.192400    
 H    4.883000       3.497600       2.147000    
 H   -4.865600      -3.499200       2.167400    
 H   -5.716100      -1.936100       2.214300    
 H   -4.044100      -2.032800       2.753200    
 H   -3.209900       4.665400      -1.489600    
 H   -2.835000       3.924200      8.4600002E-02
 H   -4.507100       4.022400     -0.4540000    


%chk=000006531-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000006531

0 1
S 1.009939 1.443990 -0.518431
S -1.012276 -1.445179 -0.510968
S 4.051284 1.846133 -2.498363
S -4.063627 -1.856274 -2.473755
P 3.177142 0.757634 -0.984216
P -3.182318 -0.761825 -0.968129
O 0.945953 1.079045 2.153537
O -0.937866 -1.073673 2.159931
O 3.024261 -0.959629 -1.135625
O 3.927817 0.656675 0.568405
O -3.925440 -0.654784 0.587775
O -3.030837 0.954856 -1.126817
C 0.723238 0.276609 0.934812
C -0.719975 -0.274267 0.938316
C 0.726946 0.261218 3.372245
C -0.714240 -0.252675 3.375678
C 2.498499 -1.494161 -2.431043
C 4.194170 1.938959 1.293976
C -4.188943 -1.933983 1.319742
C -2.508653 1.484466 -2.425696
C 2.513863 -3.012013 -2.288501
C 4.973026 1.548615 2.545318
C -4.959818 -1.537875 2.574223
C -2.523811 3.002853 -2.288986
H 1.458530 -0.551160 0.874931
H -1.455587 0.553289 0.879317
H 1.441526 -0.587243 3.387878
H 0.929196 0.941840 4.215776
H -1.428797 0.595797 3.391836
H -0.913186 -0.931083 4.221776
H 1.471570 -1.108510 -2.582477
H 3.153441 -1.142676 -3.250371
H 4.777921 2.608878 0.634009
H 3.221501 2.402642 1.541558
H -4.777483 -2.605621 0.665813
H -3.215421 -2.397937 1.563396
H -1.482108 1.098274 -2.578334
H -3.165746 1.129906 -3.241982
H 3.536992 -3.377560 -2.098817
H 1.861294 -3.333332 -1.459336
H 2.142239 -3.473962 -3.221772
H 4.376717 0.868458 3.177096
H 5.918099 1.045762 2.280156
H 5.208969 2.455227 3.132681
H -5.193704 -2.441953 3.166299
H -5.905659 -1.034508 2.312792
H -4.358755 -0.856335 3.199990
H -2.154590 3.461203 -3.224981
H -1.869192 3.327457 -1.462723
H -3.546497 3.369029 -2.098139


