%chk=000002455.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002455

0 1
 S    5.738100      0.2294000      -1.676900    
 F   -3.716600      -3.417300      0.2570000    
 F   -2.061600      -2.814300      -1.017100    
 F   -1.885500      -2.639800       1.148600    
 F   -6.796200       1.173100      0.2082000    
 F   -5.453100       2.640000       1.085700    
 F   -5.616100       2.475400      -1.081800    
 O    3.743000      0.2951000       1.644400    
 N   -2.501900      1.4100000E-02 -7.9899997E-02
 N   -3.210800       1.162900     -9.6299998E-02
 N    3.042900      0.1357000     -0.5725000    
 N    7.694100      0.3916000     -0.1195000    
 N    7.388400      0.3236000      -1.405400    
 C   -3.289600      -1.099200      6.1799999E-02
 C   -1.124600      4.4199999E-02 -0.2020000    
 C   -4.584100     -0.6468000      0.1424000    
 C   -4.474800      0.7529000      3.9200000E-02
 C  -0.5352000     -1.9400001E-02  -1.464600    
 C  -0.3250000      0.1382000      0.9371000    
 C    1.653500      0.1050000     -0.4490000    
 C   -2.747600      -2.471500      0.1089000    
 C   0.8539000      1.0900000E-02  -1.588000    
 C    1.064100      0.1687000      0.8135000    
 C   -5.565300       1.742200      6.5499999E-02
 C    4.012200      0.2269000      0.4470000    
 C    5.408000      0.2787000     -2.0600000E-02
 C    6.558800      0.3658000      0.6746000    
 C    6.730900      0.4339000       2.139700    
 H   -5.476300      -1.245000      0.2589000    
 H   -1.145700     -9.3300000E-02  -2.361300    
 H  -0.7719000      0.1881000       1.927300    
 H    1.299800     -3.9500002E-02  -2.578100    
 H    1.607000      0.2424000       1.744400    
 H    3.391500      9.0599999E-02  -1.527800    
 H    6.309600     -0.4539000       2.621900    
 H    7.790600      0.4883000       2.409600    
 H    6.237200       1.321500       2.547500    


%chk=000002455-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002455

0 1
S 5.817120 1.340422 -1.776008
F -3.945397 -3.211942 1.288823
F -1.865867 -2.961364 0.404816
F -2.338385 -2.137604 2.466252
F -6.964619 0.796528 -0.581509
F -5.764273 2.691894 -0.220396
F -5.675930 1.673239 -2.238505
O 3.962165 -0.268116 1.454618
N -2.533608 -0.037122 -0.025595
N -3.302428 0.962634 -0.592169
N 3.091573 0.567648 -0.559695
N 7.834751 0.646486 -0.142050
N 7.823127 1.194693 -1.276079
C -3.340696 -1.039235 0.529318
C -1.098392 0.079899 -0.121711
C -4.674498 -0.661200 0.324262
C -4.594481 0.572408 -0.371267
C -0.554023 0.640833 -1.300963
C -0.254318 -0.305020 0.942691
C 1.699247 0.386633 -0.359392
C -2.874014 -2.307377 1.152607
C 0.835280 0.790764 -1.415930
C 1.141264 -0.162229 0.827093
C -5.723113 1.424175 -0.847442
C 4.136600 0.249987 0.308693
C 5.510904 0.564439 -0.207082
C 6.671123 0.260683 0.538837
C 6.797121 -0.386827 1.889385
H -5.564682 -1.208575 0.619300
H -1.220905 0.956719 -2.106794
H -0.668077 -0.697944 1.874646
H 1.253640 1.221612 -2.333438
H 1.798799 -0.458748 1.644722
H 3.361393 0.981594 -1.459057
H 6.326427 -1.384123 1.898718
H 7.863173 -0.478211 2.149887
H 6.275704 0.201548 2.662811


