%chk=000019056.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019056

0 1
 Br  -3.735900      0.1816000       2.418400    
 F    2.967700      -3.011100     -0.1276000    
 O   -4.768100       1.790700     -0.4110000    
 O    6.096700      0.5150000       1.115100    
 C   -1.375200     -0.8611000      0.2271000    
 C   -2.272400      0.3399000     -0.1525000    
 C   3.1500001E-02 -0.7856000     -0.3825000    
 C   0.7264000      0.5284000      9.1200002E-02
 C    2.201800      0.6726000     -0.4506000    
 C   -3.620200     -0.1042000      0.4777000    
 C   -1.598200       1.621000      0.3697000    
 C  -0.1622000       1.775700     -0.1657000    
 C   -2.240900      -2.075300     -0.1019000    
 C   0.8778000      -1.998400      1.9099999E-02
 C   -3.683800      -1.623700      0.2022000    
 C    2.978600     -0.6254000     -0.1829000    
 C   -2.459800      0.4805000      -1.696400    
 C    2.281500      -1.912400     -0.5606000    
 C    2.878800       1.862500      0.2908000    
 C    2.233600      0.9484000      -1.971300    
 C   -4.829400      0.6221000     -3.2000002E-02
 C    4.392100       1.888500      0.1481000    
 C    4.218600     -0.6603000      0.3338000    
 C    4.981800      0.5804000      0.6010000    
 C   -6.120800     -0.1497000     -5.9099998E-02
 H   -1.234600     -0.8680000       1.319000    
 H  -4.4900000E-02 -0.7922000      -1.474500    
 H   0.8063000      0.4457000       1.187700    
 H   -1.530400       1.616900       1.462600    
 H   -2.184100       2.507100      9.9100001E-02
 H  -0.2007000       2.003900      -1.235300    
 H   0.2764000       2.654500      0.3196000    
 H   -1.965300      -2.946100      0.5019000    
 H   -2.144400      -2.360600      -1.155800    
 H   0.4122000      -2.927500     -0.3308000    
 H   0.9355000      -2.085300       1.112200    
 H   -4.291700      -1.875100     -0.6739000    
 H   -4.089600      -2.201600       1.040500    
 H   -2.963500       1.416600      -1.958100    
 H   -1.511800      0.4968000      -2.239600    
 H   -3.047900     -0.3372000      -2.125700    
 H    2.236400      -1.987500      -1.652800    
 H    2.640300       1.808600       1.362400    
 H    2.481600       2.819600     -6.7599997E-02
 H    1.834600       1.939900      -2.209800    
 H    3.256200      0.9137000      -2.365200    
 H    1.651400      0.2157000      -2.538600    
 H    4.798100       2.689200      0.7761000    
 H    4.701600       2.076100     -0.8848000    
 H    4.737300      -1.593900      0.5233000    
 H   -6.180500     -0.7532000     -0.9675000    
 H   -6.233600     -0.7778000      0.8274000    
 H   -6.953900      0.5605000     -6.2500000E-02


%chk=000019056-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000019056

0 1
Br -3.619909 0.029632 2.480385
F 3.131189 -3.045926 -0.097240
O -4.777471 1.878737 -0.353121
O 6.131386 0.589442 1.329912
C -1.360373 -0.912595 0.147463
C -2.265206 0.302099 -0.233485
C 0.060712 -0.822755 -0.445733
C 0.726316 0.508199 0.035107
C 2.218825 0.686025 -0.465586
C -3.629508 -0.153486 0.369445
C -1.611851 1.604607 0.282760
C -0.166288 1.747258 -0.263042
C -2.231762 -2.155089 -0.176376
C 0.917459 -2.035649 -0.007496
C -3.707224 -1.678263 0.052017
C 3.008075 -0.597492 -0.138248
C -2.486310 0.407704 -1.781309
C 2.341836 -1.894914 -0.551879
C 2.854342 1.892122 0.296190
C 2.291592 0.933527 -2.007163
C -4.883980 0.693068 0.058328
C 4.395272 1.931767 0.239021
C 4.241561 -0.604924 0.454167
C 5.007319 0.627120 0.744770
C -6.245800 0.034771 0.233001
H -1.239996 -0.871651 1.251346
H -0.005738 -0.827194 -1.554522
H 0.792534 0.421286 1.144697
H -1.582565 1.581998 1.388739
H -2.218922 2.479940 -0.009158
H -0.197958 1.939671 -1.352182
H 0.282672 2.646664 0.196826
H -1.982745 -3.016205 0.466564
H -2.086393 -2.475155 -1.225427
H 0.483565 -2.982538 -0.376414
H 0.959180 -2.090261 1.098003
H -4.316688 -1.823698 -0.861135
H -4.208064 -2.235685 0.858218
H -3.096131 1.296478 -2.009454
H -1.520945 0.513436 -2.302115
H -2.989570 -0.478604 -2.206689
H 2.332091 -1.973288 -1.659341
H 2.544104 1.837215 1.359332
H 2.449168 2.837681 -0.108520
H 1.838808 1.905450 -2.270691
H 3.341143 0.947352 -2.350723
H 1.766694 0.150594 -2.583631
H 4.799721 2.768426 0.835316
H 4.743945 2.086988 -0.802602
H 4.733204 -1.554247 0.691331
H -6.487580 -0.550743 -0.676069
H -6.266968 -0.653067 1.093932
H -7.015766 0.813071 0.351879


