%chk=000173914.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173914

0 1
 Br  0.3698000      0.3104000       1.970200    
 Br   6.038300      0.2854000       1.971600    
 F   -1.261800      -3.479500     -1.4000000E-02
 F  -0.1295000      -2.718200      -1.699900    
 F   0.6625000      -2.521800      0.3158000    
 O   -1.144000       3.600600     -0.6817000    
 O   0.6458000       2.487000      -1.294700    
 O   -4.985600     -0.8627000       1.237400    
 O   -4.987000       1.324200       1.046000    
 N   0.8089000      2.5800001E-02  -1.144100    
 N  -0.5196000       2.525100     -0.8355000    
 N   -4.421200      0.2116000      0.9184000    
 C  -0.5072000      7.8500003E-02 -0.6259000    
 C   -1.155100      -1.102800     -0.2647000    
 C   -1.156200       1.303900     -0.4753000    
 C    2.012900      8.7499999E-02 -0.3933000    
 C   -2.452000      -1.058700      0.2469000    
 C   -2.453100       1.348100      3.5999998E-02
 C   -3.101000      0.1667000      0.3972000    
 C   0.9776000     -0.3791000      -2.546900    
 C  -0.4858000      -2.430700     -0.4143000    
 C    1.994000      0.2147000      0.9919000    
 C    3.221400      2.0099999E-02  -1.080000    
 C    3.195400      0.2751000       1.697900    
 C    4.422800      8.0600001E-02 -0.3740000    
 C    4.409800      0.2082000       1.015000    
 H   -2.945400      -1.986600      0.5250000    
 H   -2.962900       2.301100      0.1556000    
 H   2.9000000E-03 -0.5281000      -3.030000    
 H    1.523500      -1.324200      -2.649700    
 H    1.469000      0.4080000      -3.131200    
 H    3.314600     -6.2399998E-02  -2.156900    
 H    3.188000      0.3739000       2.781400    
 H    5.361200      3.0099999E-02 -0.9204000    


%chk=000173914-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000173914

0 1
Br 0.846612 -0.847702 2.284968
Br 5.896652 1.854397 1.851301
F -2.088067 -3.594265 -0.078002
F -1.372148 -3.107845 -2.165362
F 0.104737 -3.219197 -0.443915
O 0.060024 3.188533 0.263832
O 0.735517 2.192925 -1.675508
O -5.242613 -0.304527 0.876001
O -4.616469 1.871334 1.201424
N 0.916314 -0.574226 -0.999433
N 0.069725 2.206669 -0.569341
N -4.380494 0.656347 0.834325
C -0.409577 -0.292446 -0.617980
C -1.433550 -1.302803 -0.510755
C -0.808503 1.043997 -0.273695
C 2.028989 0.011468 -0.313980
C -2.724163 -0.976309 -0.058512
C -2.072586 1.368154 0.236590
C -3.027032 0.343005 0.329988
C 1.180292 -1.190225 -2.324385
C -1.186244 -2.770635 -0.782273
C 2.159072 0.007058 1.107625
C 3.103958 0.570033 -1.061597
C 3.287939 0.562366 1.745590
C 4.248439 1.103233 -0.443254
C 4.326462 1.105880 0.963570
H -3.494183 -1.744705 0.048486
H -2.323656 2.395800 0.513069
H 0.305869 -1.759344 -2.665008
H 2.042934 -1.871760 -2.258882
H 1.376555 -0.403097 -3.077217
H 3.027580 0.616350 -2.149940
H 3.361070 0.543446 2.835341
H 5.051545 1.529895 -1.049271


