%chk=000229013.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229013

0 1
Br -6.240745 -2.095897 0.000319
O -0.022347 -1.864368 0.001715
O 3.454805 2.351338 0.001961
N -0.974925 1.014398 -0.000457
N 0.481890 2.770579 -0.000489
C 0.318639 0.480374 0.000540
C 1.195545 1.583422 0.000208
C -0.834306 2.426575 -0.001031
C 2.238634 -1.098000 0.000498
C 0.747493 -0.927841 0.001546
C 3.129922 -0.005088 0.000316
C 2.670261 1.433534 0.000521
C -2.208940 0.264038 -0.000241
C -1.981374 3.352226 -0.002188
C 2.740995 -2.403846 -0.000013
C 4.508266 -0.239550 -0.000357
C -2.797931 -0.086418 1.224601
C -2.796985 -0.088624 -1.224909
C 4.123735 -2.630216 -0.000728
C 5.005624 -1.549958 -0.000902
C -4.002080 -0.794883 1.220716
C -4.001131 -0.797088 -1.220683
C -4.591090 -1.137932 0.000097
H -2.616531 3.224466 -0.892854
H -1.632653 4.402950 -0.001868
H -2.618380 3.224484 0.887158
H 2.042277 -3.246972 0.000284
H 5.196194 0.613213 -0.000535
H -2.317274 0.177982 2.167842
H -2.315611 0.174104 -2.168249
H 4.504852 -3.651741 -0.001120
H 6.082974 -1.719214 -0.001485
H -4.468488 -1.079521 2.166783
H -4.466813 -1.083424 -2.166594


%chk=000229013-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229013

0 1
Br -6.365701 -2.051114 0.000546
O -0.036963 -1.922763 -0.000200
O 3.475025 2.415787 -0.001366
N -0.955305 0.989524 -0.000546
N 0.470026 2.771810 -0.001326
C 0.343020 0.462654 -0.000653
C 1.201823 1.583201 -0.000528
C -0.829641 2.394031 -0.001078
C 2.264293 -1.111602 -0.000097
C 0.770136 -0.936779 -0.000572
C 3.159613 0.003950 -0.000012
C 2.671248 1.436057 0.000038
C -2.205045 0.258833 -0.000270
C -2.002234 3.322164 -0.001444
C 2.785127 -2.427639 0.000132
C 4.555308 -0.226023 0.000209
C -2.816796 -0.077838 1.226470
C -2.816574 -0.079102 -1.226770
C 4.178991 -2.645377 0.000374
C 5.066320 -1.541595 0.000417
C -4.051209 -0.762679 1.231929
C -4.050986 -0.763946 -1.231747
C -4.653145 -1.096419 0.000208
H -2.641417 3.175107 -0.890964
H -1.624877 4.355198 -0.001357
H -2.642035 3.175128 0.887630
H 2.076253 -3.262100 0.000049
H 5.218455 0.645118 0.000293
H -2.326779 0.178301 2.171127
H -2.326383 0.176067 -2.171598
H 4.573516 -3.666976 0.000516
H 6.148813 -1.707747 0.000615
H -4.529385 -1.033943 2.176879
H -4.528990 -1.036183 -2.176504


