%chk=000233003.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233003

0 1
Br 2.435521 1.376592 -0.947282
O -2.299456 0.303301 -1.011178
O 3.322804 -1.303434 0.287806
O 2.451269 -0.309983 2.174592
N 1.101907 -0.859843 0.348771
C -0.202963 -0.431749 0.937951
C -0.484620 0.988488 0.503186
C -1.270943 -1.383074 0.459507
C -1.467624 1.274325 -0.452342
C -2.230561 -0.981693 -0.480676
C 0.260003 2.061459 1.020546
C -1.325431 -2.706714 0.925969
C -1.710045 2.572021 -0.929763
C -3.219443 -1.849309 -0.974022
C 0.037970 3.359824 0.560733
C -2.300086 -3.584707 0.453452
C -0.939381 3.611705 -0.414633
C -3.241036 -3.156761 -0.496858
C 2.275307 -0.755709 1.062546
C 4.439923 -0.406787 0.080878
C 4.159767 0.456663 -1.142090
H -0.117387 -0.471351 2.062781
H 1.106681 -1.213917 -0.608156
H 1.022657 1.865553 1.782786
H -0.591826 -3.046152 1.659804
H -2.481029 2.740838 -1.678205
H -3.939681 -1.489447 -1.705865
H 0.626487 4.183739 0.961231
H -2.332946 -4.608686 0.821254
H -1.100305 4.630243 -0.769419
H -3.996801 -3.853317 -0.861897
H 5.278143 -1.110510 -0.092683
H 4.621799 0.184373 0.999815
H 4.938293 1.223988 -1.289981
H 4.087628 -0.152368 -2.061259


%chk=000233003-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000233003

0 1
Br 4.992541 1.991172 -0.340768
O -2.917040 0.329624 -0.656760
O 3.205309 -0.870701 -0.378942
O 2.380497 -0.493601 1.810091
N 0.982335 -0.518170 -0.079302
C -0.282761 -0.224043 0.642019
C -0.792480 1.177640 0.309482
C -1.331274 -1.294273 0.350822
C -2.039797 1.387176 -0.324049
C -2.558274 -0.983199 -0.282383
C -0.004664 2.315503 0.614950
C -1.091201 -2.646490 0.699900
C -2.494276 2.680733 -0.663031
C -3.515192 -1.979933 -0.577689
C -0.441714 3.614872 0.290855
C -2.034385 -3.654759 0.420178
C -1.691291 3.795178 -0.354931
C -3.250520 -3.316821 -0.226375
C 2.186121 -0.607641 0.571889
C 4.585275 -0.892552 0.140601
C 5.452604 0.047429 -0.683352
H 0.006019 -0.263523 1.709916
H 0.973611 -0.587384 -1.098641
H 0.964513 2.167205 1.106094
H -0.144366 -2.899693 1.191449
H -3.465047 2.787351 -1.156057
H -4.446298 -1.686571 -1.071435
H 0.182457 4.480190 0.535566
H -1.829325 -4.692734 0.701125
H -2.038080 4.801246 -0.613909
H -3.989969 -4.092897 -0.450933
H 4.961593 -1.927217 0.014750
H 4.577031 -0.634127 1.214017
H 6.515666 -0.055290 -0.413639
H 5.306975 -0.096096 -1.764210


