%chk=000068751.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068751

0 1
 S    3.618600     -7.9999998E-04   1.822000    
 F    5.852900      -3.867500     -0.6476000    
 F   0.6768000       5.784900      5.0400000E-02
 F   0.5710000       4.760600      -1.858500    
 F  -0.9612000       4.413400     -0.3549000    
 O   -8.120400      0.5727000     -0.8204000    
 N   -2.410200      -2.055600      0.6133000    
 N   -5.204900      -1.399800      0.2696000    
 C   -1.259800      -2.950000      0.5004000    
 C   -3.442600      -2.640300       1.477700    
 C   -2.963900      -1.748700     -0.7113000    
 C    1.431700     -0.3276000     -0.4470000    
 C  -0.1491000      -2.286200     -0.3117000    
 C   0.2940000     -0.9843000      0.3452000    
 C   -4.650800      -1.704700       1.594300    
 C   -4.172900     -0.8141000     -0.5947000    
 C    1.711500       1.068400      8.2599998E-02
 C    2.646700      -1.238300     -0.4867000    
 C   -6.356400     -0.5068000      0.3815000    
 C    2.647800       1.309500       1.101400    
 C    3.657800      -1.181500      0.4867000    
 C   0.9763000       2.150300     -0.4341000    
 C   -6.998100     -0.2852000     -0.9789000    
 C    2.740300      -2.201000      -1.507700    
 C    1.172900       3.444500      4.5899998E-02
 C    2.834600       2.613500       1.582700    
 C    4.736100      -2.076200      0.4253000    
 C    2.101700       3.675700       1.054600    
 C    3.819100      -3.082500      -1.564700    
 C    4.816500      -3.020200     -0.5978000    
 C   0.3840000       4.577500     -0.5177000    
 H   -1.537700      -3.902600      3.0900000E-02
 H  -0.8724000      -3.185400       1.500000    
 H   -3.767600      -3.617000       1.094200    
 H   -3.035900      -2.803400       2.483100    
 H   -2.242500      -1.219500      -1.341000    
 H   -3.254300      -2.667300      -1.239300    
 H    1.103900     -0.1976000      -1.489400    
 H  -0.4162000      -2.146400      -1.363500    
 H   0.6669000      -3.015200     -0.3002000    
 H   0.6027000      -1.178100       1.381000    
 H  -0.5475000     -0.2828000      0.4005000    
 H   -5.411200      -2.200400       2.209800    
 H   -4.356000     -0.7845000       2.117000    
 H   -3.850800      0.1660000     -0.2175000    
 H   -4.533500     -0.6750000      -1.617900    
 H   -7.110500     -0.9438000       1.049000    
 H   -6.082500      0.4590000      0.8269000    
 H   0.2391000       1.977100      -1.215700    
 H   -6.338200      0.2181000      -1.688500    
 H   -7.341500      -1.229500      -1.414400    
 H    1.977500      -2.263400      -2.280400    
 H    3.554200       2.818800       2.372400    
 H    5.527700      -2.048200       1.170900    
 H    2.269400       4.675400       1.445700    
 H    3.879700      -3.816600      -2.362500    
 H   -8.522100      0.6843000      -1.698900    


%chk=000068751-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000068751

0 1
S 3.464188 -0.250059 1.997180
F 6.109097 -3.811034 -0.702685
F 0.415225 5.659647 0.471516
F 1.578095 5.291179 -1.435295
F -0.467295 4.357939 -1.171329
O -8.604328 0.266103 -0.681360
N -2.506884 -2.003771 0.459367
N -5.293812 -1.199711 0.255332
C -1.343129 -2.924576 0.464717
C -3.483296 -2.309716 1.535559
C -3.199031 -1.944573 -0.851406
C 1.523664 -0.349753 -0.508288
C -0.119121 -2.364045 -0.296291
C 0.382807 -1.041445 0.317372
C -4.599085 -1.252679 1.565566
C -4.319268 -0.892151 -0.820884
C 1.807184 1.028532 0.083061
C 2.776111 -1.219358 -0.582901
C -6.465777 -0.291451 0.256173
C 2.615907 1.186239 1.238428
C 3.688821 -1.291489 0.500248
C 1.199845 2.180798 -0.462889
C -7.511083 -0.716697 -0.784056
C 3.038043 -2.020151 -1.722721
C 1.359967 3.445535 0.145732
C 2.784782 2.449384 1.851417
C 4.809151 -2.152162 0.474495
C 2.150070 3.583041 1.311300
C 4.143023 -2.896586 -1.781088
C 4.998267 -2.945463 -0.667453
C 0.731838 4.655558 -0.476145
H -1.611257 -3.927735 0.043538
H -1.054425 -3.089207 1.521609
H -3.950301 -3.317338 1.393598
H -2.951780 -2.309449 2.505592
H -2.471224 -1.672072 -1.637084
H -3.640988 -2.938092 -1.120472
H 1.139576 -0.211871 -1.538159
H -0.375105 -2.208261 -1.364757
H 0.679924 -3.130307 -0.277462
H 0.736602 -1.221335 1.351433
H -0.472759 -0.344378 0.389748
H -5.334941 -1.519619 2.346499
H -4.147399 -0.264568 1.835238
H -3.859029 0.118247 -0.672921
H -4.839822 -0.888046 -1.795789
H -6.944955 -0.331294 1.251265
H -6.183544 0.772929 0.071586
H 0.572348 2.082760 -1.355467
H -7.075504 -0.713556 -1.805906
H -7.860284 -1.743475 -0.551973
H 2.354107 -1.963435 -2.576949
H 3.419161 2.548177 2.737829
H 5.525992 -2.194812 1.299131
H 2.269725 4.561374 1.785905
H 4.340322 -3.521946 -2.655769
H -9.327716 0.021923 -1.310836


