%chk=000179827.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179827

0 1
Br -0.031017 -1.976871 0.656395
O 1.822577 3.161376 -0.105116
O -0.675107 2.211582 1.969100
O -2.754338 -3.535139 0.789543
N 1.872896 -1.223789 1.582150
N -1.092119 2.772422 -0.219641
C 2.771187 0.242153 -0.002607
C -3.209697 1.773822 -1.142152
C 1.770879 0.952372 0.791969
C 2.861408 -1.082372 0.528079
C -2.572620 2.728001 -0.108668
C -3.143552 0.334080 -0.711524
C 1.351906 0.110726 1.796430
C 1.237126 2.272171 0.462325
C 3.573428 0.614183 -1.082891
C 3.731258 -2.034770 -0.002894
C -0.272480 2.423776 0.839138
C -1.886295 -0.255765 -0.510800
C -4.298574 -0.421992 -0.461307
C 4.450711 -0.334716 -1.608499
C 4.527659 -1.636648 -1.078064
C -1.770090 -1.531185 0.039864
C -4.202823 -1.735560 0.006334
C -2.932952 -2.275307 0.275064
H -4.263146 2.085293 -1.300529
H -2.724641 1.890147 -2.133731
H -2.968292 3.758622 -0.251686
H -2.849328 2.413552 0.929027
H 0.645836 0.308360 2.600884
H 2.131855 -1.780609 2.401991
H -0.705602 3.013100 -1.128018
H 3.511913 1.625037 -1.488107
H 3.781624 -3.044380 0.394808
H -0.982272 0.303572 -0.760389
H -5.283701 0.013013 -0.625514
H 5.091761 -0.066359 -2.448042
H 5.224652 -2.349066 -1.519557
H -5.099670 -2.320917 0.180521
H -3.615660 -3.997715 0.938514


%chk=000179827-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179827

0 1
Br -2.245897 -2.933230 -2.527714
O 1.133862 1.686396 -1.377772
O -0.717989 1.230926 1.684959
O -3.943763 -3.639519 -0.052402
N 2.993023 -0.757936 2.129554
N -1.212658 2.303601 -0.338998
C 3.262213 0.082767 0.017848
C -3.666247 2.073712 -0.863713
C 1.943184 0.466505 0.523503
C 3.899744 -0.684324 1.047958
C -2.562981 2.741258 0.011934
C -3.771084 0.571714 -0.656003
C 1.831650 -0.076887 1.823601
C 0.951556 1.245559 -0.187664
C 3.953040 0.314846 -1.196946
C 5.193955 -1.224092 0.911089
C -0.405771 1.576569 0.500868
C -3.106545 -0.331451 -1.523881
C -4.504183 0.037271 0.432365
C 5.249955 -0.221238 -1.345026
C 5.863529 -0.979738 -0.307389
C -3.172470 -1.721620 -1.308509
C -4.573614 -1.352469 0.650106
C -3.905819 -2.250520 -0.219692
H -4.625863 2.563371 -0.606843
H -3.466095 2.303135 -1.927989
H -2.635827 3.841536 -0.096251
H -2.714085 2.488314 1.076082
H 0.986224 0.004225 2.502895
H 3.167308 -1.246720 3.006386
H -0.801206 2.508731 -1.259500
H 3.475895 0.895805 -1.989991
H 5.666341 -1.808771 1.707983
H -2.532996 0.048145 -2.375838
H -5.026044 0.712650 1.120359
H 5.799570 -0.053329 -2.277699
H 6.871711 -1.381395 -0.457165
H -5.147985 -1.748802 1.497706
H -4.478934 -3.880796 0.744190


