%chk=000142611.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000142611

0 1
 S    3.825000     -1.1000000E-03  1.9999999E-04
 S   -3.825000      1.1000000E-03  1.9999999E-04
 C   0.6723000     -3.0000001E-04 -7.9999998E-04
 C  -0.6723000      3.0000001E-04 -7.9999998E-04
 C    1.388200      -1.266600     -7.9999998E-04
 C    1.388900       1.265800     -1.2000001E-03
 C   -1.388900      -1.265800     -1.2000001E-03
 C   -1.388100       1.266600     -7.9999998E-04
 C    2.728900      -1.346600     -3.9999999E-04
 C    2.729700       1.345100     -6.0000003E-04
 C   -2.729700      -1.345100     -6.9999998E-04
 C   -2.728900       1.346700     -3.0000001E-04
 C    3.368700      -2.650400     -3.9999999E-04
 C    3.370600       2.648400      1.9999999E-04
 C   -3.370600      -2.648400      1.9999999E-04
 C   -3.368700       2.650500     -3.9999999E-04
 C    3.677400      -3.278200      -1.208500    
 C    3.678900       3.275500       1.208600    
 C   -3.678900      -3.275500       1.208700    
 C   -3.677500       3.278100      -1.208400    
 C    3.676300      -3.278900       1.207600    
 C    3.679400       3.277000      -1.207300    
 C   -3.679400      -3.277000      -1.207300    
 C   -3.676300       3.278900       1.207600    
 C    4.291900      -4.530500      -1.208400    
 C    4.294300       4.527300       1.209400    
 C   -4.294400      -4.527300       1.209400    
 C   -4.291900       4.530500      -1.208400    
 C    4.290900      -4.531100       1.207600    
 C    4.295100       4.528600      -1.206600    
 C   -4.295100      -4.528600      -1.206600    
 C   -4.290900       4.531100       1.207600    
 C    4.598700      -5.156800     -3.9999999E-04
 C    4.602600       5.153800      1.8000000E-03
 C   -4.602600      -5.153800      1.9000000E-03
 C   -4.598800       5.156900     -5.0000002E-04
 H   0.8940000      -2.226200     -1.1000000E-03
 H   0.8952000       2.225600     -1.5000000E-03
 H  -0.8952000      -2.225600     -1.5000000E-03
 H  -0.8939000       2.226200     -1.1000000E-03
 H    3.444600      -2.804800      -2.159500    
 H    3.445200       2.802000       2.159300    
 H   -3.445100      -2.801900       2.159400    
 H   -3.444800       2.804700      -2.159400    
 H    3.442600      -2.806000       2.158600    
 H    3.446000       2.804400      -2.158700    
 H   -3.446000      -2.804400      -2.158700    
 H   -3.442600       2.806000       2.158700    
 H    4.531400      -5.018000      -2.148900    
 H    4.533500       5.014300       2.150200    
 H   -4.533500      -5.014400       2.150200    
 H   -4.531300       5.018000      -2.148900    
 H    4.529600      -5.019000       2.148100    
 H    4.534800       5.016700      -2.146800    
 H   -4.534800      -5.016600      -2.146800    
 H   -4.529600       5.019000       2.148100    
 H    5.077200      -6.131800     -5.0000002E-04
 H    5.081700       6.128400      2.4999999E-03
 H   -5.081800      -6.128500      2.4999999E-03
 H   -5.077100       6.131900     -5.0000002E-04


%chk=000142611-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000142611

0 1
S 4.015815 -0.001273 -0.000249
S -4.015818 0.001499 -0.000208
C 0.711281 -0.001094 -0.000140
C -0.711285 -0.000610 -0.000140
C 1.475973 -1.248536 -0.000404
C 1.476094 1.246222 0.000189
C -1.476838 -1.247523 0.000174
C -1.475236 1.247235 -0.000407
C 2.836817 -1.407178 -0.000484
C 2.836954 1.404745 0.000264
C -2.837793 -1.405223 0.000256
C -2.835985 1.406701 -0.000477
C 3.517360 -2.737834 -0.000943
C 3.517611 2.735343 0.000959
C -3.519252 -2.735410 0.000921
C -3.515725 2.737767 -0.000959
C 3.847048 -3.377139 -1.225331
C 3.849719 3.373181 1.225459
C -3.851651 -3.373126 1.225406
C -3.845335 3.377091 -1.225358
C 3.843544 -3.379795 1.222990
C 3.841458 3.378727 -1.222845
C -3.843592 -3.378515 -1.222899
C -3.841205 3.380108 1.222961
C 4.475885 -4.642547 -1.225007
C 4.478621 4.638553 1.225411
C -4.481334 -4.638109 1.225325
C -4.473391 4.642886 -1.225062
C 4.472374 -4.645211 1.221713
C 4.470347 4.644117 -1.221293
C -4.473263 -4.643517 -1.221379
C -4.469253 4.645912 1.221657
C 4.789616 -5.279556 -0.001884
C 4.790002 5.276997 0.002433
C -4.793208 -5.276280 0.002330
C -4.786416 5.280271 -0.001954
H 0.924775 -2.194538 -0.000710
H 0.924871 2.192244 0.000657
H -0.926299 -2.193909 0.000615
H -0.923353 2.192871 -0.000736
H 3.602871 -2.880469 -2.170870
H 3.607318 2.875430 2.170886
H -3.608871 -2.875583 2.170845
H -3.601698 2.880134 -2.170885
H 3.596695 -2.885156 2.168898
H 3.592769 2.885201 -2.168853
H -3.594679 -2.885079 -2.168895
H -3.594419 2.885457 2.168880
H 4.719788 -5.129525 -2.175815
H 4.724380 5.124402 2.176319
H -4.727316 -5.123869 2.176221
H -4.717234 5.129874 -2.175880
H 4.713573 -5.134246 2.172156
H 4.709740 5.134256 -2.171623
H -4.713036 -5.133445 -2.171723
H -4.709910 5.135236 2.172088
H 5.277498 -6.260789 -0.002251
H 5.277939 6.258204 0.003011
H -5.281748 -6.257186 0.002884
H -5.273696 6.261804 -0.002343


