%chk=000280632.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000280632

0 1
Br 1.576909 0.639780 1.959946
N -3.281050 -0.043822 0.160709
N -2.875116 2.374519 0.380722
N 0.366294 0.512349 -0.010140
N 1.091494 1.219821 -0.767729
N -5.066173 1.482941 0.432337
C -1.946938 -0.249189 0.026997
C -1.539273 -1.660136 -0.191966
C -1.026313 0.838047 0.056139
C -1.544983 2.158035 0.226571
C -0.602556 -2.272984 0.653364
C -2.115793 -2.385319 -1.247621
C -0.670586 3.359526 0.280005
C -3.711355 1.266627 0.330969
C -0.238606 -3.604471 0.434623
C -1.741997 -3.714104 -1.462501
C -0.804277 -4.324121 -0.622676
C 2.501924 0.979153 -0.632155
C 2.988491 0.800400 0.684276
C 3.400357 1.071733 -1.698155
C 4.342667 0.747314 0.963479
C 4.772647 1.002633 -1.421759
C 5.240072 0.851064 -0.112918
H -0.153657 -1.710266 1.472488
H -2.856945 -1.911231 -1.891661
H -0.186517 3.534418 -0.697818
H -1.228635 4.273999 0.538069
H 0.141081 3.241826 1.015777
H 0.490333 -4.079217 1.089079
H -2.184835 -4.275186 -2.283286
H -0.515393 -5.360031 -0.791854
H 3.034192 1.193077 -2.716907
H -5.415816 2.406139 0.634592
H -5.698835 0.700489 0.490776
H 4.707308 0.620910 1.982156
H 5.485359 1.070417 -2.244666
H 6.311220 0.807161 0.079636


%chk=000280632-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000280632

0 1
Br 2.347515 -0.143081 2.400330
N -3.282960 -0.033288 -0.167852
N -2.914155 2.371804 0.105313
N 0.367615 0.523749 0.001786
N 1.184284 1.486011 -0.353510
N -5.056615 1.486774 -0.190479
C -1.939123 -0.271018 -0.097849
C -1.564428 -1.714906 -0.186919
C -1.011376 0.837853 0.002094
C -1.569773 2.169247 0.136545
C -0.409172 -2.266515 0.432673
C -2.450192 -2.589482 -0.878652
C -0.747984 3.411044 0.381507
C -3.707487 1.264194 -0.089244
C -0.153354 -3.652030 0.357517
C -2.180550 -3.969761 -0.968448
C -1.029348 -4.509414 -0.347719
C 2.579821 1.178882 -0.267983
C 3.263656 0.503308 0.784457
C 3.364238 1.718875 -1.328321
C 4.665408 0.344474 0.754217
C 4.757776 1.540518 -1.378704
C 5.413711 0.847215 -0.333895
H 0.283342 -1.611939 0.963393
H -3.349193 -2.165246 -1.334693
H -0.259820 3.747784 -0.548835
H -1.418136 4.203072 0.752148
H 0.070160 3.227252 1.099237
H 0.736258 -4.060452 0.849878
H -2.866958 -4.623839 -1.517762
H -0.819330 -5.583268 -0.411248
H 2.829867 2.267062 -2.111251
H -5.407110 2.438219 -0.112021
H -5.682488 0.694383 -0.310890
H 5.169784 -0.164305 1.581132
H 5.330793 1.947543 -2.218025
H 6.500021 0.711582 -0.349027


