%chk=000084574.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000084574

0 1
 S    2.253600     -0.2643000      0.1586000    
 F   -1.291600      -1.919800      -2.257700    
 F  -0.1703000     -0.1415000      -1.712900    
 F  -0.1501000      -3.375400     -0.3486000    
 F    1.231500      -2.447900      -1.743900    
 F   -1.255500     -0.3521000      0.8980000    
 F   -2.384300      -2.084900      0.2229000    
 F   0.4726000      -1.522900       1.568600    
 F    2.078200      -2.766000      0.8020000    
 F   -3.501000     -0.6564000      -1.770000    
 F   -2.375900       1.117500      -1.195600    
 F   -3.463700      0.9067000       1.387700    
 F   -4.596100     -0.8325000      0.7245000    
 F   -4.603000       2.374100     -0.7021000    
 F   -5.721700      0.5973000      -1.272700    
 F   -6.872500      0.4737000       1.202700    
 F   -7.136400       2.388300      0.1919000    
 F   -5.739100       2.224600       1.849500    
 O    1.438600      0.9044000      0.4329000    
 O    2.884000     -0.4243000      -1.138300    
 O    5.887600      0.5586000      0.2258000    
 O    7.949100       1.303700      0.9283000    
 N    3.453400     -0.3854000       1.381300    
 C  -0.7119000      -1.274800      -1.203600    
 C   0.4054000      -2.176000     -0.6928000    
 C   -1.805200     -0.9257000     -0.2024000    
 C    1.261300      -1.722000      0.4809000    
 C   -2.926300     -2.4000000E-02 -0.7076000    
 C   -4.018700      0.3245000      0.2934000    
 C   -5.136400       1.224500     -0.2130000    
 C    4.621700      -1.265400       1.136400    
 C    3.033700     -0.3880000       2.803600    
 C   -6.223800       1.575600      0.7716000    
 C    5.899700     -0.4516000       1.226300    
 C    6.980900       1.375000      0.1846000    
 C    6.825300       2.377500     -0.9060000    
 C    5.462600       2.851900      -1.308200    
 C    7.944000       2.823400      -1.496200    
 H    4.641100      -2.087800       1.860300    
 H    4.555800      -1.723100      0.1442000    
 H    2.234200      0.3404000       2.966000    
 H    3.872300     -9.7000003E-02   3.443200    
 H    2.683800      -1.379600       3.103700    
 H    5.990600      1.5100000E-02   2.214100    
 H    6.760700      -1.110800       1.065800    
 H    4.892400       2.039300      -1.769900    
 H    4.911000       3.209900     -0.4326000    
 H    5.511000       3.676200      -2.027800    
 H    7.899800       3.553900      -2.297600    
 H    8.929700       2.474500      -1.206100    


%chk=000084574-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000084574

0 1
S 2.411025 -0.144445 0.091808
F -1.715856 -2.147692 -1.928220
F -0.357095 -0.327577 -1.626016
F -0.507650 -3.535761 0.094960
F 0.894571 -2.769798 -1.530998
F -1.429111 0.303013 0.704853
F -2.341316 -1.769343 1.041546
F 0.468619 -1.415349 1.812913
F 2.048411 -2.822502 0.959787
F -4.202406 -1.443548 -0.828460
F -3.101887 0.295486 -1.835892
F -3.608325 1.991131 0.151795
F -4.116635 0.329133 1.639574
F -5.864130 0.774733 -1.502705
F -6.421306 -0.257480 0.462553
F -6.134873 2.405027 1.737598
F -7.814107 2.023286 0.256766
F -6.023041 3.256555 -0.369438
O 1.702435 1.131091 0.781758
O 2.726273 -0.242038 -1.489980
O 6.589663 0.202410 -0.224440
O 6.544874 1.360443 1.805921
N 3.969414 -0.472176 0.978882
C -0.996361 -1.400153 -0.965534
C 0.126276 -2.363408 -0.412592
C -2.034028 -0.799841 0.062024
C 1.117568 -1.810045 0.637423
C -3.386847 -0.313448 -0.594989
C -4.200866 0.715645 0.283225
C -5.726921 0.833643 -0.097126
C 4.856562 -1.467702 0.344188
C 3.883453 -0.380798 2.450307
C -6.428914 2.157645 0.390162
C 6.334481 -1.056808 0.498052
C 6.618571 1.379042 0.551527
C 6.762694 2.587023 -0.320751
C 6.728830 2.411258 -1.824078
C 6.899987 3.788842 0.306049
H 4.723110 -2.477671 0.786452
H 4.610312 -1.511963 -0.731477
H 3.092755 0.337181 2.725815
H 4.843126 0.036656 2.804459
H 3.687620 -1.362036 2.926747
H 6.626899 -0.942650 1.556157
H 6.966159 -1.816941 0.009212
H 7.539477 1.743845 -2.166651
H 5.780021 1.944034 -2.144000
H 6.832284 3.384839 -2.331640
H 7.001623 4.718420 -0.263899
H 6.906684 3.852193 1.399576


