%chk=000093801.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093801

0 1
 Br  -4.824500      -3.930600      0.5153000    
 F   -1.514600     -0.3297000       1.260100    
 F   -3.447700       2.554200      -1.423100    
 O    2.705600      0.6343000       1.974100    
 O  -0.2112000      -1.099500      -2.000000    
 O    4.874000       1.748300     -0.1860000    
 O    5.732100     -0.8548000      0.1098000    
 O   -6.311000      -1.387800       1.426400    
 O    5.382600      -3.110000     -0.2503000    
 C    1.510600      0.7470000     -0.1726000    
 C   0.3931000       1.608400      0.4548000    
 C  -0.9740000       1.421400     -0.2207000    
 C   -1.405200     -8.0899999E-02 -9.9299997E-02
 C    2.715800       1.230400      0.6802000    
 C    1.107000     -0.7301000      2.7000001E-03
 C    1.007800       3.005100      0.5010000    
 C  -0.2865000      -1.053200     -0.5835000    
 C   -2.847600     -0.3325000     -0.6944000    
 C    2.497400       2.754600      0.8162000    
 C   -2.017600       2.352800      0.4248000    
 C    1.769200       1.071400      -1.670100    
 C   -3.417600       2.125400     -0.1297000    
 C   -3.800600      0.6709000     -3.8500000E-02
 C    4.060700      0.8776000      0.1200000    
 C   -2.934500     -0.1531000      -2.227700    
 C   -3.283600      -1.766000     -0.4189000    
 C   -4.900200      0.3130000      0.6416000    
 C    4.352200     -0.5989000     -4.4399999E-02
 C   -4.377600      -2.136800      0.2595000    
 C   -5.281600      -1.103700      0.8216000    
 C    6.122600      -2.163800     -1.7700000E-02
 C    7.604800      -2.283500      0.1688000    
 H   0.2640000       1.302000       1.505900    
 H  -0.8998000       1.698100      -1.276900    
 H    1.086900     -0.9920000       1.067600    
 H    1.841200      -1.386300     -0.4740000    
 H   0.5434000       3.633200       1.268200    
 H   0.9007000       3.521700     -0.4594000    
 H  -0.5325000      -2.066500     -0.2458000    
 H    3.101000       3.348200      0.1212000    
 H    2.725000       3.104500       1.829700    
 H   -1.735800       3.396000      0.2402000    
 H   -2.027000       2.205000       1.512500    
 H    2.220200       2.059000      -1.813000    
 H    2.450500      0.3428000      -2.121000    
 H   0.8594000       1.064100      -2.273500    
 H   -4.121800       2.761100      0.4189000    
 H   -2.413800      0.7422000      -2.578700    
 H   -2.513400      -1.005400      -2.772500    
 H   -3.978500     -6.8999998E-02  -2.557500    
 H   -2.655600      -2.548500     -0.8417000    
 H    3.374200       1.080600       2.521500    
 H   0.4602000      -1.760000      -2.241200    
 H   -5.547500       1.050900       1.104500    
 H    4.034100     -0.9058000      -1.044900    
 H    3.816200      -1.172600      0.7168000    
 H    7.880700      -1.940600       1.169100    
 H    8.122200      -1.698200     -0.5954000    
 H    7.900300      -3.331500      6.5399997E-02


%chk=000093801-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000093801

0 1
Br -4.703012 -4.101326 -0.096057
F -1.676941 -0.200430 1.388372
F -3.366219 2.643386 -1.662527
O 2.507949 0.835255 2.428469
O -0.012025 -1.475391 -1.611082
O 4.848798 1.302464 -0.263633
O 5.724003 -1.176422 0.645026
O -6.420980 -1.587453 0.725441
O 4.140291 -1.877501 -0.909231
C 1.596066 0.700699 0.132997
C 0.455169 1.673937 0.563579
C -0.859156 1.434117 -0.205140
C -1.302576 -0.048926 -0.057708
C 2.767461 1.281023 1.034527
C 1.155153 -0.734960 0.485425
C 1.105284 3.077909 0.490848
C -0.183727 -1.131723 -0.184633
C -2.646007 -0.343868 -0.845699
C 2.600288 2.823876 0.884960
C -1.974018 2.375410 0.318842
C 1.983684 0.836385 -1.364308
C -3.356789 2.092506 -0.272185
C -3.701049 0.620121 -0.310197
C 4.152566 0.757066 0.627109
C -2.496031 -0.121290 -2.400669
C -3.043791 -1.799657 -0.679812
C -4.902142 0.188903 0.171156
C 4.637497 -0.498530 1.378469
C -4.248740 -2.201908 -0.193260
C -5.288783 -1.240163 0.273677
C 5.338276 -1.811278 -0.540587
C 6.536146 -2.361449 -1.272126
H 0.253741 1.450545 1.631244
H -0.700010 1.634879 -1.281072
H 1.031534 -0.811405 1.580447
H 1.920652 -1.476917 0.180437
H 0.617523 3.797997 1.170327
H 1.037355 3.492337 -0.532362
H -0.570323 -2.026651 0.345814
H 3.296928 3.190073 0.111954
H 2.874661 3.336070 1.828227
H -1.711628 3.426525 0.102450
H -2.045098 2.263450 1.417409
H 2.402913 1.828772 -1.600083
H 2.747330 0.086162 -1.631986
H 1.110216 0.662827 -2.011971
H -4.142784 2.664694 0.251743
H -2.226068 0.918992 -2.634312
H -1.733009 -0.802866 -2.801601
H -3.470028 -0.325584 -2.877204
H -2.320464 -2.527979 -1.063862
H 2.791484 1.552653 3.048966
H 0.882569 -1.884991 -1.726816
H -5.659428 0.896197 0.532158
H 3.797453 -1.185427 1.569231
H 5.088642 -0.216945 2.343960
H 7.299119 -2.721060 -0.564372
H 6.990040 -1.551316 -1.871885
H 6.224435 -3.168917 -1.950882


