%chk=000199346.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000199346

0 1
Br 1.829881 -1.713108 -2.193781
N -2.563961 0.173981 -0.656973
N 1.082899 1.119523 -1.217143
N 1.847743 2.265969 1.333238
N 3.699181 -0.955794 1.435518
C -3.475639 -0.762168 -1.396114
C -2.784580 0.078700 0.825180
C -4.941250 -0.406832 -1.093381
C -4.238820 0.448773 1.159970
C -5.223620 -0.459269 0.413094
C -1.131011 -0.101175 -0.998572
C -0.352037 1.221973 -0.822514
C 1.913335 0.398164 -0.300601
C 2.349389 1.011537 0.912772
C 2.407082 -0.881733 -0.591197
C 3.235592 0.278923 1.741914
C 3.297989 -1.530656 0.277281
H -3.286738 -1.829058 -1.150043
H -3.282879 -0.636103 -2.483545
H -2.094069 0.796610 1.319492
H -2.547612 -0.928905 1.229987
H -5.610798 -1.096275 -1.638152
H -5.157482 0.610970 -1.476273
H -4.422329 1.505698 0.880511
H -4.398211 0.380279 2.251056
H -6.263351 -0.144054 0.617332
H -5.138840 -1.498887 0.781638
H -0.671770 -0.904949 -0.383900
H -1.054765 -0.440027 -2.054016
H -0.809753 2.018002 -1.454147
H -0.431711 1.574302 0.229807
H 1.177006 0.796936 -2.188762
H 3.589246 0.698554 2.691150
H 3.698487 -2.527053 0.056052
H 2.450685 2.771851 1.970475
H 1.531810 2.866701 0.574649


%chk=000199346-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000199346

0 1
Br 2.422560 -1.806464 -2.315173
N -2.585652 0.124559 -0.658699
N 1.106612 0.958140 -1.267624
N 1.708666 2.231929 1.185776
N 3.737702 -0.870386 1.580873
C -3.588359 -0.681668 -1.401965
C -2.755405 -0.024336 0.810342
C -5.023034 -0.252419 -1.030618
C -4.162204 0.424749 1.255184
C -5.252308 -0.364892 0.494540
C -1.192070 -0.109547 -1.099612
C -0.329580 1.169119 -0.923773
C 1.972048 0.330375 -0.341423
C 2.258028 0.976136 0.916367
C 2.673245 -0.879018 -0.588022
C 3.110864 0.311787 1.836700
C 3.544482 -1.450260 0.363214
H -3.468514 -1.777165 -1.189059
H -3.418272 -0.535914 -2.485189
H -1.985822 0.580241 1.324320
H -2.594909 -1.091350 1.120465
H -5.749207 -0.879649 -1.582827
H -5.171947 0.797176 -1.350420
H -4.273601 1.506368 1.046713
H -4.265714 0.279448 2.347849
H -6.259573 0.005215 0.763857
H -5.208659 -1.432661 0.794363
H -0.707905 -0.956611 -0.553297
H -1.204021 -0.387419 -2.171545
H -0.739140 1.967665 -1.567883
H -0.394581 1.516283 0.120672
H 1.236068 0.622096 -2.229408
H 3.321995 0.767484 2.812561
H 4.079180 -2.381902 0.158107
H 1.988138 2.720183 2.033701
H 1.399991 2.794111 0.392935


