%chk=000084097.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000084097

1 1
 S   -2.583000       1.174700     -0.7037000    
 F   0.6377000      0.3330000       2.452700    
 F    2.066000       1.573100       1.390300    
 F   0.4636000       1.682200     -0.7869000    
 F  -0.4105000       2.351300       1.084700    
 F    2.705700      -1.037300       1.625300    
 F   0.8724000      -1.651300      0.6551000    
 F   -1.710500     -6.3900001E-02   1.371800    
 F  -0.8857000     -0.7634000     -0.5124000    
 F    1.546200     -0.3592000      -1.625100    
 F    2.939300      -1.865200     -0.9378000    
 F    3.146900       1.641200     -0.7701000    
 F    4.029900      0.2501000      -2.182400    
 F    4.546100      0.5348000       1.286600    
 F    5.723500       1.259000     -0.3878000    
 F    6.685500      -1.022800      0.7758000    
 F    4.824200      -2.059700      0.3113000    
 F    6.075600      -1.308600      -1.300400    
 O   -3.073000       2.235900      0.1561000    
 O   -2.130600       1.479300      -2.047800    
 N   -7.992200     -0.5820000     -0.1206000    
 N   -3.754800     -5.6699999E-02 -0.7960000    
 C   -6.610800     -4.9500000E-02 -2.7300000E-02
 C    1.116600      0.6134000       1.204400    
 C  -1.8100001E-02   1.237900      0.3998000    
 C    1.795000     -0.6481000      0.6882000    
 C   -5.655100      -1.196800      0.2751000    
 C   -1.239800      0.3577000      0.1653000    
 C    2.484400     -0.6082000     -0.6686000    
 C   -4.215100     -0.7223000      0.4345000    
 C    3.629300      0.3727000     -0.8821000    
 C   -8.986500      0.5361000     -0.4637000    
 C   -8.089900      -1.657800      -1.211500    
 C   -8.424800      -1.212700       1.210500    
 C    4.867100      0.2681000     -3.8999999E-03
 C    5.625400      -1.035100     -5.9500001E-02
 H   -6.372300      0.4360000     -0.9807000    
 H   -6.586000      0.7083000      0.7650000    
 H   -5.909800      -1.714100       1.204100    
 H   -5.653000      -1.939100     -0.5295000    
 H   -3.567000      -1.581300      0.6378000    
 H   -4.160400     -3.4400001E-02   1.284800    
 H   -3.690200     -0.6898000      -1.604100    
 H   -8.933300       1.291100      0.3262000    
 H   -8.695800      0.9653000      -1.426900    
 H   -9.992200      0.1097000     -0.5209000    
 H   -7.634700      -1.266300      -2.125900    
 H   -7.599500      -2.575700     -0.8788000    
 H   -9.150100      -1.871400      -1.381900    
 H   -8.209500     -0.5043000       2.015700    
 H   -9.501200      -1.406500       1.159200    
 H   -7.907600      -2.162600       1.363200    


%chk=000084097-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000084097

1 1
S -3.102293 0.627037 -0.479560
F 0.801136 1.344254 2.324906
F 1.992398 2.165806 0.562277
F 0.216207 1.034065 -1.248161
F -0.728257 2.355587 0.367645
F 3.080969 0.016885 2.034516
F 1.234161 -1.243662 1.554758
F -1.514527 -0.140004 1.732992
F -0.969636 -1.198352 -0.209161
F 1.757545 -1.231780 -1.095079
F 3.447214 -2.009060 0.227959
F 3.132509 1.075370 -1.650167
F 4.188984 -0.883867 -2.150267
F 4.818708 1.529362 0.496719
F 5.827458 1.204254 -1.529024
F 7.385230 0.240870 0.432452
F 5.705480 -0.923866 1.408410
F 6.457526 -1.523200 -0.651890
O -4.022364 1.102780 0.767623
O -2.870750 1.502877 -1.809270
N -8.119687 -0.322438 -0.023241
N -3.843197 -0.937979 -1.005949
C -6.582425 -0.461180 0.146399
C 1.200702 1.084796 0.991556
C -0.122848 1.096208 0.117401
C 2.093686 -0.217366 1.061968
C -6.002124 -1.858276 -0.121573
C -1.225688 0.038304 0.388552
C 2.795878 -0.835191 -0.213448
C -4.452794 -1.817617 0.012688
C 3.828964 -0.022489 -1.090484
C -8.484708 1.130836 0.294169
C -8.541522 -0.632747 -1.457753
C -8.861594 -1.242191 0.942341
C 5.162148 0.555059 -0.468673
C 6.193181 -0.438803 0.188669
H -6.136480 0.271610 -0.545942
H -6.355194 -0.129153 1.173776
H -6.373057 -2.605506 0.604984
H -6.249748 -2.211880 -1.138356
H -4.049147 -2.839792 -0.096009
H -4.182129 -1.463604 1.025951
H -3.335899 -1.354899 -1.797744
H -8.172563 1.363115 1.323390
H -7.958762 1.794836 -0.408258
H -9.572936 1.260293 0.192257
H -7.949572 -0.011771 -2.147149
H -8.371801 -1.697143 -1.671882
H -9.611938 -0.402052 -1.571543
H -8.532679 -1.023592 1.969770
H -9.943389 -1.059704 0.849889
H -8.642978 -2.290241 0.693768


