%chk=000041008.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041008

0 1
 Br  -4.166400       2.796800       2.452300    
 O  -0.3226000      -1.861100      0.6742000    
 O    1.488500      -3.230300       1.054000    
 O    5.344800      1.1000000E-03  0.1887000    
 O    1.348500       2.544300     -0.5168000    
 O    4.113400       2.394400     -0.4647000    
 N   -2.882500      -1.935300     -0.5363000    
 C   -3.972600     -0.9669000     -0.5420000    
 C   -3.484300      0.3855000     -2.2399999E-02
 C   -4.617500       1.420100     -3.0200001E-02
 C   -2.640900      -2.431600      0.8197000    
 C   -3.177700      -3.049100      -1.439300    
 C   -4.184000       2.792500      0.4909000    
 C   -1.212300      -2.931900      0.9617000    
 C   -3.367000      -2.563400      -2.866400    
 C   -5.131200       3.892200      3.1800002E-02
 C    1.005900      -2.148300      0.7578000    
 C    1.824400     -0.9517000      0.4373000    
 C    1.201000      0.2517000      0.1075000    
 C    3.216700      -1.031400      0.4637000    
 C    3.985600      9.2100002E-02  0.1600000    
 C    1.969800       1.375300     -0.1961000    
 C    3.362100       1.295400     -0.1698000    
 C    5.902200      -1.264900      0.5356000    
 C  -7.7699997E-02   2.540600     -0.5203000    
 C    4.473900       2.583900      -1.831000    
 H   -4.826400      -1.326200      4.8000000E-02
 H   -4.358400     -0.7658000      -1.544400    
 H   -3.085600      0.3089000      0.9929000    
 H   -2.665600      0.7459000     -0.6577000    
 H   -5.473200       1.040300      0.5423000    
 H   -4.959800       1.527000      -1.068000    
 H   -3.351800      -3.220700       1.096400    
 H   -2.764500      -1.638800       1.564800    
 H   -2.340400      -3.755400      -1.448500    
 H   -4.068300      -3.607000      -1.123000    
 H   -3.162100       3.032800      0.1810000    
 H   -1.008500      -3.778300      0.2969000    
 H   -1.051700      -3.262900       1.994900    
 H   -3.270200      -3.412400      -3.553200    
 H   -2.606900      -1.828900      -3.153900    
 H   -4.360700      -2.141900      -3.044400    
 H   -6.158400       3.705700      0.3652000    
 H   -5.139600       3.963500      -1.061100    
 H   -4.825800       4.868500      0.4244000    
 H   0.1189000      0.2855000      9.3300000E-02
 H    3.652500      -1.989300      0.7255000    
 H    5.638500      -1.556400       1.558100    
 H    5.644100      -2.035200     -0.1991000    
 H    6.991400      -1.154600      0.5090000    
 H  -0.4767000       1.867500      -1.286600    
 H  -0.4861000       2.335500      0.4753000    
 H  -0.4009000       3.551600     -0.7904000    
 H    5.077200       1.744300      -2.190500    
 H    3.580600       2.697500      -2.453200    
 H    5.069200       3.498200      -1.904500    


%chk=000041008-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041008

0 1
Br -3.632389 3.180248 1.248717
O -0.635782 -1.798848 1.817657
O 0.499701 -3.127562 0.260506
O 4.214979 0.129924 -1.399938
O 1.524696 2.812363 1.510821
O 3.628985 2.562267 -0.106511
N -2.796044 -2.244163 -0.180517
C -3.642876 -1.173394 -0.757507
C -3.087880 0.239253 -0.471068
C -3.990044 1.348896 -1.049412
C -2.959524 -2.411043 1.276793
C -2.817867 -3.522523 -0.937461
C -3.503623 2.780296 -0.785048
C -1.663156 -2.854446 1.978356
C -2.014727 -3.454186 -2.250136
C -4.296002 3.865163 -1.517900
C 0.342481 -2.020102 0.837829
C 1.178163 -0.812310 0.600545
C 0.902391 0.424094 1.230770
C 2.266671 -0.940587 -0.293329
C 3.088104 0.173592 -0.559873
C 1.717534 1.544713 0.955587
C 2.819923 1.437290 0.049852
C 4.578544 -1.172522 -1.966839
C 0.441087 2.956784 2.490355
C 3.909330 3.035099 -1.479121
H -4.700845 -1.236769 -0.391743
H -3.683896 -1.325081 -1.852388
H -2.982976 0.389930 0.619730
H -2.068630 0.307984 -0.897730
H -5.027073 1.243450 -0.673177
H -4.044721 1.237175 -2.155318
H -3.758456 -3.151756 1.540411
H -3.268483 -1.444094 1.711951
H -2.356917 -4.297675 -0.298564
H -3.866918 -3.857019 -1.141954
H -2.417764 2.875957 -0.958748
H -1.267192 -3.800620 1.569553
H -1.824658 -2.949991 3.065843
H -2.050187 -4.428605 -2.772697
H -0.963160 -3.210781 -2.023675
H -2.413146 -2.689172 -2.941919
H -5.370559 3.805928 -1.272034
H -4.182081 3.720628 -2.610989
H -3.934749 4.875087 -1.263451
H 0.050523 0.488755 1.909784
H 2.444543 -1.918577 -0.747847
H 4.780301 -1.911990 -1.168782
H 3.785560 -1.557071 -2.636677
H 5.496252 -0.986470 -2.543976
H -0.549448 2.763297 2.035205
H 0.593057 2.283963 3.356521
H 0.497055 4.005046 2.818181
H 4.470839 2.278964 -2.051198
H 2.963022 3.282797 -1.997058
H 4.508932 3.947307 -1.340979


