%chk=000150015.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000150015

0 1
 Br  -1.478700       3.306800      0.4996000    
 O    7.336500       1.365100      -1.836500    
 O    6.823600      -1.661700       1.896500    
 O   -6.580600     -0.3785000     -0.5647000    
 O   -6.758200       1.616000      0.5707000    
 O   -1.649600      -2.551600     -0.6071000    
 O   -1.834800      -2.550300       1.580300    
 N    5.640500     -4.2300001E-02 -8.1799999E-02
 N   6.6399999E-02  0.3256000     -0.5468000    
 N  -0.4518000      0.3532000      0.5920000    
 N   -2.001900      -2.005100      0.4643000    
 C    6.417900     -0.7270000      -1.095500    
 C    6.321000      0.5334000       1.060900    
 C    4.238000      5.0500002E-02 -0.1992000    
 C    6.657700      0.1960000      -2.278100    
 C    6.238800     -0.4135000       2.246100    
 C    3.497100      0.6998000      0.7884000    
 C    3.591800     -0.5068000      -1.302600    
 C    2.110200      0.7917000      0.6727000    
 C    2.204800     -0.4150000      -1.418200    
 C    1.464000      0.2342000     -0.4306000    
 C   -1.848300      0.4447000      0.4754000    
 C   -2.612300     -0.7206000      0.4117000    
 C   -4.623300      0.6073000      0.2402000    
 C   -3.999800     -0.6393000      0.2940000    
 C   -2.471800       1.691300      0.4215000    
 C   -3.859300       1.772600      0.3039000    
 C   -6.070000      0.6920000      0.1174000    
 C   -7.999500     -0.4090000     -0.7525000    
 C   -8.368300      -1.659400      -1.521900    
 H    5.972900      -1.680300      -1.401200    
 H    7.396800     -0.9983000     -0.6788000    
 H    5.960900       1.537500       1.310300    
 H    7.382300      0.6731000      0.8157000    
 H    7.286300     -0.3057000      -3.020700    
 H    5.731500      0.5082000      -2.767600    
 H    6.794900      7.9999998E-04   3.093200    
 H    5.211000     -0.6000000       2.568500    
 H    3.938100       1.158800       1.666100    
 H    4.107200      -1.026900      -2.102000    
 H    1.573100       1.324300       1.453600    
 H    1.708000     -0.8530000      -2.280100    
 H    7.487800       1.920400      -2.620200    
 H    6.768500      -2.232600       2.681700    
 H   -4.584100      -1.556600      0.2579000    
 H   -4.347300       2.743800      0.2581000    
 H   -8.495400     -0.4138000      0.2243000    
 H   -8.311000      0.4785000      -1.314200    
 H   -7.864000      -1.676600      -2.493700    
 H   -8.044800      -2.554400     -0.9803000    
 H   -9.448500      -1.715100      -1.683300    


%chk=000150015-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000150015

0 1
Br -1.983354 3.584955 1.255496
O 7.849955 0.929692 -1.804902
O 7.408168 -1.430386 2.008377
O -6.830416 -0.509489 -0.493884
O -7.075811 1.678617 0.280672
O -2.266187 -2.286694 -1.476307
O -1.167006 -2.080822 0.515097
N 5.717423 -0.097195 -0.024917
N 0.089188 0.251762 -0.486053
N -0.595645 0.947459 0.402766
N -1.958665 -1.638412 -0.402714
C 6.508796 -0.893934 -0.986469
C 6.484034 0.573554 1.046752
C 4.338112 0.009664 -0.122668
C 6.906946 -0.111015 -2.246578
C 6.584021 -0.255604 2.336149
C 3.570988 0.724967 0.871401
C 3.612938 -0.588300 -1.214170
C 2.185529 0.829956 0.780911
C 2.223625 -0.481358 -1.295496
C 1.478181 0.225573 -0.306596
C -1.988736 0.819191 0.289671
C -2.675371 -0.361825 -0.155275
C -4.851074 0.703919 0.075869
C -4.071811 -0.417931 -0.285883
C -2.819122 1.921494 0.661901
C -4.214248 1.876878 0.561725
C -6.337720 0.706758 -0.021341
C -8.316088 -0.599955 -0.637319
C -8.624557 -2.000949 -1.153434
H 5.952663 -1.803963 -1.272670
H 7.421735 -1.229660 -0.468515
H 6.041428 1.559691 1.271584
H 7.499064 0.762102 0.660945
H 7.392510 -0.807668 -2.963311
H 6.014019 0.338816 -2.726965
H 7.068907 0.361154 3.123137
H 5.575794 -0.560214 2.684536
H 4.074761 1.188218 1.723623
H 4.141654 -1.133715 -1.999155
H 1.610612 1.370118 1.539921
H 1.671906 -0.942111 -2.121353
H 8.080070 1.521982 -2.562775
H 7.426511 -2.055789 2.774275
H -4.552486 -1.330065 -0.646850
H -4.832391 2.736450 0.835539
H -8.770563 -0.399698 0.349892
H -8.643752 0.192954 -1.333791
H -8.142850 -2.178090 -2.130136
H -8.270942 -2.769777 -0.445483
H -9.716440 -2.119105 -1.277825


