%chk=000268983.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268983

0 1
Br -9.232410 0.710233 -4.237720
O -1.046125 -3.070808 2.455776
O 5.237955 0.786076 1.971608
O 6.673566 2.068213 0.996465
O 5.842381 1.077010 -5.024711
O 7.110528 2.285492 -3.752535
N -0.897253 -1.620362 0.660036
N 3.639717 -0.716739 0.620204
N 2.623098 -1.634818 0.436389
N 5.779533 1.246127 0.960305
N 6.224640 1.467158 -3.933614
C -5.890064 1.201216 0.965324
C -4.592013 0.442643 0.896485
C -6.689024 1.085318 -0.305792
C -2.159333 -0.945193 0.776908
C -4.312290 -0.579123 1.813653
C -3.641198 0.764491 -0.086824
C -3.102939 -1.274566 1.762158
C -2.430284 0.080559 -0.153600
C 0.947710 -3.171155 1.118433
C -7.101698 2.237700 -0.990922
C -7.039557 -0.181106 -0.802744
C -0.430481 -2.637414 1.503713
C 2.026801 -2.180308 1.465273
C 4.265475 -0.193547 -0.492776
C -7.859699 2.130688 -2.161186
C -7.794849 -0.297569 -1.971182
C 5.315917 0.772931 -0.334355
C -8.197264 0.863007 -2.637500
C 3.898047 -0.586043 -1.823196
C 2.287610 -1.937249 2.912114
C 5.950825 1.309684 -1.476898
C 5.564814 0.907023 -2.746371
C 4.526065 -0.054788 -2.918109
H -6.515250 0.844372 1.814545
H -5.673814 2.265896 1.205943
H -5.041070 -0.841861 2.580889
H -3.856738 1.553131 -0.808920
H -2.898815 -2.070082 2.487283
H -1.707161 0.342350 -0.922868
H -0.293778 -1.302517 -0.104800
H 1.121853 -4.123903 1.675567
H 0.976571 -3.467265 0.044964
H -6.835502 3.224806 -0.615814
H -6.713626 -1.078581 -0.276301
H -8.178873 3.030370 -2.689012
H -8.063515 -1.283393 -2.353343
H 3.102570 -1.328769 -1.946037
H 3.943621 -0.417838 1.581060
H 6.758587 2.054352 -1.347557
H 3.257385 -2.352065 3.231806
H 2.286007 -0.866655 3.173013
H 1.524987 -2.402539 3.562823
H 4.249863 -0.352195 -3.939347


%chk=000268983-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000268983

0 1
Br -8.211885 1.545335 -4.951070
O -1.040570 -3.450898 2.989422
O 5.006686 0.794626 1.861259
O 6.131670 2.364539 0.654692
O 4.281547 1.345354 -5.257236
O 5.683179 2.741552 -4.111862
N -0.698993 -1.959252 1.196279
N 3.363459 -0.830199 0.677107
N 2.429867 -1.864536 0.654601
N 5.305783 1.381620 0.720164
N 4.832249 1.771244 -4.166549
C -5.622524 1.094669 0.802180
C -4.344433 0.264836 0.900773
C -6.216567 1.206404 -0.601313
C -1.931938 -1.245315 1.138539
C -4.204958 -0.749425 1.878546
C -3.246650 0.507206 0.033987
C -3.020152 -1.505597 2.010292
C -2.056328 -0.232607 0.149048
C 1.099991 -3.529410 1.759335
C -6.634604 2.459033 -1.113510
C -6.398801 0.054686 -1.409634
C -0.325456 -2.977824 2.060826
C 2.158939 -2.450049 1.812213
C 3.723725 -0.201029 -0.493840
C -7.224752 2.571715 -2.394236
C -6.987144 0.143712 -2.690034
C 4.672756 0.889615 -0.503360
C -7.394668 1.407011 -3.167622
C 3.168578 -0.608743 -1.751485
C 2.782290 -2.075240 3.141145
C 5.032700 1.533517 -1.707390
C 4.458514 1.100346 -2.907099
C 3.525451 0.025818 -2.938181
H -6.379319 0.655396 1.482246
H -5.428300 2.116829 1.183986
H -5.040547 -0.959476 2.557581
H -3.329811 1.277199 -0.741690
H -2.929204 -2.285172 2.768748
H -1.219674 -0.027090 -0.531607
H 0.016631 -1.679616 0.514566
H 1.294870 -4.312803 2.507007
H 1.090667 -3.987654 0.753849
H -6.501709 3.364910 -0.509619
H -6.072960 -0.923804 -1.038482
H -7.541870 3.546061 -2.776708
H -7.125039 -0.752271 -3.302164
H 2.464505 -1.442467 -1.745341
H 3.837072 -0.478410 1.534572
H 5.750495 2.357705 -1.693033
H 3.871076 -2.282338 3.146173
H 2.655848 -0.998177 3.369358
H 2.324386 -2.645296 3.962911
H 3.107426 -0.283842 -3.899639


