%chk=000093800.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093800

0 1
 Br   4.496800       3.930300     -0.5140000    
 F    1.015900      0.6445000      0.7362000    
 F    3.502800      -2.888600     -3.2699998E-02
 O   -3.990100      -1.408200      -1.216300    
 O   0.6129000      9.3599997E-02  -2.810900    
 O   -3.552500      -2.785100       1.703600    
 O   -3.083500     -0.2448000       1.879200    
 O   -3.975400       2.093400      0.7226000    
 O    5.631200       2.058200       1.657400    
 O   -5.459400       3.168000     -0.6848000    
 C   -1.560100      -1.131300     -0.8573000    
 C  -0.6685000      -1.597300      0.3112000    
 C   0.8310000      -1.577900     -2.4499999E-02
 C    1.254600     -0.1151000     -0.3992000    
 C   -2.967300      -1.357100     -0.2342000    
 C   -1.181800      0.3249000      -1.193500    
 C   -1.310100      -2.911500      0.7619000    
 C   0.3258000      0.5088000      -1.486100    
 C   -2.818400      -2.720000      0.4903000    
 C    2.808300      1.9999999E-04 -0.6671000    
 C    1.648600      -2.104300       1.170500    
 C   -1.448400      -2.018500      -2.131200    
 C    3.149700      -1.998400      0.9371000    
 C    3.532700     -0.5954000      0.5434000    
 C   -3.393000     -0.2421000      0.6887000    
 C    3.298800     -0.7468000      -1.928800    
 C    3.195600       1.458600     -0.8768000    
 C    4.427800      8.1799999E-02   1.278400    
 C   -4.215000      0.8664000      6.6299997E-02
 C    4.085300       2.146900     -0.1493000    
 C    4.786100       1.483900      0.9776000    
 C   -4.666100       3.179000      0.2468000    
 C   -4.314200       4.404000       1.035100    
 H  -0.7937000     -0.8989000       1.152100    
 H    1.020700      -2.242200     -0.8741000    
 H   -1.414700      0.9799000     -0.3461000    
 H   -1.777000      0.6760000      -2.045000    
 H  -0.9277000      -3.745900      0.1624000    
 H   -1.093600      -3.129400       1.812900    
 H   0.4902000       1.593300      -1.474200    
 H   -3.187200      -3.539600     -0.1367000    
 H    1.397500      -3.156900       1.345900    
 H    1.380500      -1.549500       2.078900    
 H   -1.800300      -3.042200      -1.970600    
 H   -2.046600      -1.596800      -2.947400    
 H  -0.4228000      -2.102900      -2.496800    
 H    3.671100      -2.316300       1.846900    
 H    2.873800      -1.750900      -2.014600    
 H    3.045800     -0.2139000      -2.852100    
 H    4.391400     -0.8554000      -1.928500    
 H    2.718500       1.966100      -1.713700    
 H   -4.786000      -1.785400     -0.8034000    
 H   2.9300001E-02  0.5861000      -3.412500    
 H   -3.114500      -2.215900       2.358500    
 H    4.914100     -0.3681000       2.138000    
 H   -5.272100      0.5915000      0.1532000    
 H   -3.949000      0.9885000     -0.9880000    
 H   -3.245000       4.609300      0.9415000    
 H   -4.588800       4.261000       2.083100    
 H   -4.869600       5.260500      0.6423000    


%chk=000093800-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000093800

0 1
Br 5.035952 3.492584 -1.628450
F 1.164568 0.877191 0.576922
F 3.514121 -2.952179 0.778143
O -3.858655 -1.240156 -1.736535
O 1.007649 -0.063773 -2.947251
O -3.999262 -2.548309 1.265101
O -3.175023 0.145495 1.501197
O -4.092849 2.429771 0.279892
O 5.915724 2.243411 1.129878
O -6.081246 1.896416 1.382063
C -1.456078 -1.005302 -1.052639
C -0.717368 -1.365750 0.274035
C 0.810311 -1.468946 0.091011
C 1.366677 -0.145832 -0.503749
C -2.960058 -1.135721 -0.578506
C -0.987017 0.406982 -1.474379
C -1.475039 -2.596069 0.835485
C 0.550509 0.507873 -1.664636
C -2.930075 -2.465442 0.278763
C 2.936577 -0.203486 -0.712498
C 1.494090 -1.763753 1.451557
C -1.228254 -2.037646 -2.189876
C 3.022831 -1.693111 1.417773
C 3.553009 -0.501044 0.651522
C -3.408883 0.070600 0.264084
C 3.367594 -1.332930 -1.726116
C 3.437062 1.098582 -1.311972
C 4.512919 0.294749 1.203816
C -4.193699 1.166221 -0.461206
C 4.395367 1.874726 -0.738383
C 5.020321 1.539686 0.574723
C -5.097893 2.653577 1.248911
C -4.784817 3.897122 2.042316
H -0.891373 -0.528119 0.979099
H 1.045537 -2.285979 -0.616320
H -1.257555 1.144135 -0.693618
H -1.479440 0.733502 -2.414083
H -1.019355 -3.546842 0.501627
H -1.491580 -2.607858 1.938893
H 0.817977 1.584855 -1.646012
H -3.161981 -3.292657 -0.414082
H 1.200184 -2.766554 1.809853
H 1.138654 -1.024354 2.194002
H -1.454734 -3.068514 -1.867502
H -1.893011 -1.808996 -3.039516
H -0.186428 -2.005019 -2.544352
H 3.447236 -1.723096 2.436757
H 3.077281 -2.330375 -1.365138
H 2.915774 -1.144413 -2.710022
H 4.467402 -1.321312 -1.813374
H 3.033024 1.340313 -2.301609
H -4.696750 -1.682627 -1.442538
H 0.398577 0.247678 -3.663123
H -3.846651 -1.842121 1.948965
H 4.960887 0.057015 2.176803
H -5.255810 0.856291 -0.534732
H -3.801710 1.347254 -1.472312
H -4.397560 4.693579 1.386847
H -3.998457 3.662344 2.782273
H -5.684802 4.238432 2.573820


