%chk=000106662.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000106662

0 1
 Br  -3.146700       1.949200       2.651500    
 O    2.616900       2.746200      0.9232000    
 O    2.467100      -3.739000      0.3946000    
 O   -3.498100     -0.8611000      -3.147300    
 O   -1.676600     -0.1873000      -2.124000    
 O   -7.801700     -0.3282000      -1.112400    
 O   -7.983100      0.6029000      0.8673000    
 N    4.369600      0.5503000      0.7762000    
 N   0.5417000      -2.381000      0.4620000    
 N   -1.187300     -0.1429000      0.6084000    
 N   -1.717000      0.8664000      8.8799998E-02
 N   -2.920400     -0.3346000      -2.167700    
 N   -7.289200      0.2096000     -0.1013000    
 C    5.311800     -0.5471000      0.7054000    
 C    6.695600     -3.3199999E-02  0.2827000    
 C    6.682000      0.6029000      -1.112800    
 C    8.063100       1.073100      -1.575900    
 C    5.375200      -1.223400       2.071200    
 C    2.997100      0.3838000      0.7357000    
 C    8.070600       1.635000      -2.989100    
 C    2.117700       1.483200      0.8078000    
 C    2.437300     -0.9041000      0.6193000    
 C    1.054900      -1.086000      0.5768000    
 C   0.7354000       1.301400      0.7652000    
 C   0.2040000      1.7000001E-02  0.6497000    
 C    2.881200       3.450900     -0.2878000    
 C    1.250200      -3.585400      0.3793000    
 C   -3.112500      0.7056000      4.7499999E-02
 C   0.3238000      -4.769900      0.2650000    
 C   -3.704100      0.1119000      -1.066900    
 C   -3.902900       1.135800       1.112300    
 C   -5.088400     -5.1899999E-02  -1.116400    
 C   -5.880000      0.3780000     -5.1399998E-02
 C   -5.287300      0.9718000       1.062900    
 H    5.016400      -1.278200     -5.6699999E-02
 H    7.409700     -0.8663000      0.2896000    
 H    7.060700      0.7054000       1.008100    
 H    5.998200       1.459800      -1.129400    
 H    6.293500     -0.1263000      -1.834700    
 H    4.722700       1.482600      0.9634000    
 H    8.767200      0.2337000      -1.528900    
 H    8.435600       1.839200     -0.8855000    
 H    4.412500      -1.625000       2.398800    
 H    5.708800     -0.5193000       2.842600    
 H    6.086400      -2.056500       2.052900    
 H    7.742400      0.8804000      -3.710900    
 H    9.079700       1.955900      -3.265900    
 H    7.403600       2.499200      -3.068300    
 H    3.107600      -1.741600      0.5512000    
 H   0.1054000       2.184200      0.8491000    
 H  -0.4742000      -2.441300      0.4362000    
 H    3.603800       2.907900     -0.9050000    
 H    3.304600       4.425900     -3.1199999E-02
 H    1.954000       3.608800     -0.8477000    
 H  -0.2992000      -4.839000       1.161200    
 H   0.9078000      -5.689000      0.1656000    
 H  -0.3144000      -4.658900     -0.6163000    
 H   -5.554700     -0.5145000      -1.983100    
 H   -5.889500       1.312500       1.902400    


%chk=000106662-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000106662

0 1
Br -3.002264 -1.458543 2.234411
O 2.902933 2.615722 0.040837
O 2.503732 -3.872427 1.167532
O -3.992163 2.628207 -2.846639
O -2.188586 1.234105 -2.714980
O -8.151347 0.988313 -0.911282
O -8.072349 -0.349764 0.942783
N 4.486110 0.593387 0.620733
N 0.656131 -2.519808 0.658981
N -0.967586 -0.514209 0.066243
N -1.808990 0.452472 -0.240354
N -3.345552 1.641347 -2.311129
N -7.507384 0.310928 -0.017222
C 5.573466 -0.361439 0.934795
C 6.909058 0.199047 0.389774
C 6.972007 0.314699 -1.150043
C 8.319287 0.883269 -1.651371
C 5.644103 -0.645584 2.455939
C 3.155807 0.291218 0.512676
C 8.385782 0.997634 -3.189295
C 2.247770 1.384450 0.191477
C 2.636904 -1.023107 0.677102
C 1.259575 -1.258171 0.518318
C 0.888395 1.161360 0.047927
C 0.364471 -0.162913 0.205648
C 2.077655 3.775780 -0.320432
C 1.259802 -3.743585 0.957240
C -3.176973 0.234690 -0.213669
C 0.303082 -4.929579 0.991830
C -3.988854 0.941339 -1.178389
C -3.914147 -0.467996 0.808428
C -5.387765 0.994194 -1.121973
C -6.037374 0.290654 -0.093266
C -5.309860 -0.444096 0.874319
H 5.350043 -1.308121 0.403531
H 7.722238 -0.465075 0.741425
H 7.101743 1.191121 0.852933
H 6.145647 0.956333 -1.518140
H 6.806796 -0.686510 -1.598713
H 4.730404 1.581126 0.498152
H 9.145614 0.236986 -1.291187
H 8.486000 1.881840 -1.197467
H 4.672378 -0.995264 2.844940
H 5.931679 0.266773 3.009700
H 6.395972 -1.428324 2.661960
H 8.255932 0.008500 -3.667059
H 9.356600 1.407953 -3.521837
H 7.588891 1.661877 -3.573510
H 3.281506 -1.865945 0.925562
H 0.180165 1.951947 -0.212880
H -0.363077 -2.482591 0.507583
H 1.571639 3.608245 -1.289273
H 2.778340 4.618900 -0.400363
H 1.326441 3.980039 0.465175
H -0.759828 -4.635646 1.027171
H 0.537531 -5.552749 1.870140
H 0.465544 -5.552946 0.093959
H -5.956129 1.556393 -1.866346
H -5.858442 -0.976955 1.654893


