%chk=000074692.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000074692

0 1
 S    1.140500      0.1802000      0.2861000    
 F   -2.260400      0.9517000      -1.612200    
 F  -0.9147000       2.346600     -0.6440000    
 F   0.2798000      0.5102000      -2.131700    
 F  -0.6451000      -1.136400      -1.061200    
 F   -3.051400       1.878300      0.7928000    
 F   -1.256800       1.146400       1.752300    
 F   -3.341500     -0.3525000       2.263700    
 F   -1.850600      -1.413000       1.097500    
 F   -3.356800      -1.183400      -1.155300    
 F   -4.318900      -2.136800      0.5415000    
 F   -6.008400     -0.5769000     -0.9267000    
 F   -5.700000      0.1408000       1.102400    
 F   -4.750600       1.170400     -0.5689000    
 O    1.422300       1.568300      0.5994000    
 O   0.8258000     -0.7569000       1.348200    
 O    5.212500      9.8999999E-03 -0.3224000    
 O    6.649400       1.555000      0.6198000    
 N    2.444400     -0.4609000     -0.6297000    
 C   -1.364100       1.058800     -0.5899000    
 C  -0.1958000      0.1357000     -0.9094000    
 C   -2.114000      0.8895000      0.7243000    
 C   -2.798600     -0.4396000       1.013400    
 C    3.187300      0.4527000      -1.531400    
 C   -3.884300     -0.9325000      6.8700001E-02
 C    2.329000      -1.830900      -1.185300    
 C    4.366600       1.053600     -0.7884000    
 C   -5.093600     -4.4799998E-02 -9.2000000E-02
 C    3.453200      -2.695600     -0.6519000    
 C    6.320300      0.4067000      0.3680000    
 C    7.068600     -0.8040000      0.7649000    
 C    8.205500     -0.6907000       1.457600    
 H    2.534500       1.245900      -1.908200    
 H    3.563000     -8.8600002E-02  -2.407200    
 H    2.311600      -1.828900      -2.280000    
 H    1.387000      -2.287000     -0.8652000    
 H    4.025000       1.648700      6.5499999E-02
 H    4.930000       1.704500      -1.467100    
 H    4.421200      -2.373100      -1.046100    
 H    3.501200      -2.657700      0.4415000    
 H    3.304900      -3.737700     -0.9522000    
 H    6.682600      -1.778400      0.4875000    
 H    8.754200      -1.580200       1.749000    
 H    8.616900      0.2690000       1.750000    


%chk=000074692-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000074692

0 1
S 1.148100 -0.069013 0.641423
F -2.452763 0.844803 -1.874132
F -0.985509 2.247930 -0.829508
F 0.267113 0.181186 -2.051147
F -0.924264 -1.381150 -0.898712
F -3.339099 2.110095 0.440521
F -1.611500 1.213253 1.645974
F -4.021827 0.145916 2.176573
F -2.527702 -1.321898 1.271080
F -3.898072 -1.359994 -1.130621
F -5.118922 -1.865507 0.731059
F -6.652836 -0.623102 -1.085679
F -6.252826 0.809538 0.626723
F -5.208266 1.095305 -1.370691
O 1.425815 1.462036 1.080452
O 0.713413 -1.237161 1.665987
O 5.602110 0.014781 -0.314298
O 6.973567 1.505247 0.852262
N 2.612512 -0.620668 -0.278873
C -1.586928 0.969422 -0.744411
C -0.443421 -0.067419 -0.853514
C -2.482699 0.988340 0.553426
C -3.384967 -0.239862 0.972367
C 3.315772 0.461216 -1.019834
C -4.507808 -0.807934 0.018221
C 2.519165 -2.000388 -0.834388
C 4.517259 1.027474 -0.262140
C -5.668429 0.144871 -0.454782
C 3.861349 -2.739752 -0.683231
C 6.809011 0.388496 0.307191
C 7.796023 -0.715700 0.203680
C 9.039988 -0.595044 0.735444
H 2.625678 1.302532 -1.221803
H 3.634599 0.050991 -1.995690
H 2.205818 -1.963501 -1.898198
H 1.740614 -2.537865 -0.262969
H 4.266828 1.253532 0.787984
H 4.874899 1.955971 -0.745647
H 4.677975 -2.204763 -1.194499
H 4.130894 -2.834858 0.381375
H 3.765105 -3.749928 -1.122022
H 7.466959 -1.621928 -0.315259
H 9.773247 -1.405080 0.666678
H 9.335724 0.325979 1.251328


