%chk=000067823.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000067823

0 1
 S    2.175500     -0.2964000      6.7800000E-02
 F  -0.2750000     -0.3260000      -1.772600    
 F   -1.412700      -2.138900      -2.140700    
 F  -0.2505000      -3.425600     -0.1257000    
 F    1.114900      -2.634600      -1.617600    
 F   -1.322700     -0.2965000      0.8618000    
 F   -2.469700      -2.075500      0.3600000    
 F   0.4094000      -1.413400       1.609600    
 F    1.997400      -2.729700      0.9343000    
 F   -3.608600     -0.8235000      -1.736400    
 F   -2.466600      0.9877000      -1.338400    
 F   -4.667800     -0.7698000      0.7792000    
 F   -3.517400       1.014500       1.268600    
 F   -4.680100       2.296900     -0.9275000    
 F   -5.815700      0.4831000      -1.321500    
 F   -6.930600      0.5877000       1.171100    
 F   -7.200000       2.406300     -2.4999999E-03
 F   -5.779300       2.382300       1.643000    
 O    2.786100     -0.5753000      -1.218500    
 O    1.370400      0.8970000      0.2483000    
 O    5.814000      0.5069000      9.8999999E-03
 O    7.889200       1.298900      0.6138000    
 N    3.392400     -0.3155000       1.279300    
 C  -0.8145000      -1.406000      -1.156600    
 C   0.3057000      -2.265100     -0.5835000    
 C   -1.891300     -0.9625000     -0.1751000    
 C    1.181000      -1.713500      0.5329000    
 C   -3.015300     -0.1024000     -0.7428000    
 C   -4.091200      0.3406000      0.2385000    
 C    4.552800      -1.220900       1.097400    
 C   -5.211800       1.198800     -0.3302000    
 C    2.993700     -0.1887000       2.702100    
 C    5.835900     -0.4103000       1.096300    
 C   -6.283000       1.642800      0.6343000    
 C    2.997200       1.271800       3.106100    
 C    6.910600       1.309600     -0.1194000    
 C    6.743900       2.211800      -1.292800    
 C    5.377800       2.656900      -1.716400    
 C    7.856000       2.596400      -1.936200    
 H    4.471400      -1.753000      0.1437000    
 H    4.580300      -1.993100       1.873800    
 H    2.012300     -0.6246000       2.889600    
 H    3.689200     -0.7261000       3.356500    
 H    5.941200      0.1410000       2.038100    
 H    6.691500      -1.086000      0.9830000    
 H    3.979600       1.724900       2.936300    
 H    2.261400       1.850000       2.539800    
 H    2.755800       1.372100       4.169000    
 H    4.797300       1.810000      -2.096400    
 H    4.840600       3.093900     -0.8682000    
 H    5.419500       3.414200      -2.506600    
 H    7.803600       3.252800      -2.798900    
 H    8.844200       2.268700      -1.630000    


%chk=000067823-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000067823

0 1
S 2.399341 -0.076655 0.341804
F -0.271681 -0.111884 -1.568563
F -1.578107 -1.911881 -2.119433
F -0.526959 -3.441720 -0.110125
F 0.993189 -2.555872 -1.558277
F -1.553179 0.359995 0.678630
F -2.421694 -1.752446 0.836719
F 0.284987 -1.406568 1.815437
F 1.917461 -2.795814 1.034481
F -4.149520 -1.372831 -1.150636
F -3.040906 0.460863 -1.964025
F -4.292065 0.249371 1.425826
F -3.756751 2.012003 0.069792
F -5.849780 0.810006 -1.796198
F -6.488091 -0.355575 0.067433
F -6.390724 2.240423 1.503920
F -7.959443 1.877474 -0.097492
F -6.187245 3.212684 -0.543135
O 2.818472 -0.074144 -1.219870
O 1.658153 1.159455 1.069881
O 6.287568 0.131429 -0.331593
O 6.843460 1.690708 1.319209
N 3.842187 -0.522965 1.307518
C -0.949226 -1.235927 -1.046488
C 0.135139 -2.233087 -0.478179
C -2.075285 -0.721819 -0.064281
C 1.034645 -1.752573 0.682909
C -3.393211 -0.235738 -0.788015
C -4.303734 0.709858 0.090126
C 4.777892 -1.489670 0.697106
C -5.805791 0.791845 -0.383652
C 3.715193 -0.378522 2.789089
C 6.217219 -0.944143 0.673777
C -6.591747 2.057833 0.129318
C 4.128091 1.014294 3.297665
C 6.537075 1.440255 0.127139
C 6.378925 2.425903 -0.989605
C 5.832433 1.941235 -2.315942
C 6.717677 3.718670 -0.724056
H 4.466590 -1.675788 -0.346518
H 4.754808 -2.453105 1.245734
H 2.676936 -0.603221 3.104170
H 4.356990 -1.168553 3.224135
H 6.543684 -0.557997 1.655274
H 6.902146 -1.741414 0.335429
H 5.150603 1.271882 2.976128
H 3.436228 1.783496 2.916264
H 4.085752 1.026958 4.402958
H 6.495521 1.180639 -2.765742
H 4.846606 1.458906 -2.182132
H 5.726644 2.781485 -3.022510
H 6.615792 4.499987 -1.484629
H 7.095733 4.006956 0.262826


