%chk=000216357.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216357

0 1
Br -4.700482 -1.643712 -0.204739
O 0.010792 3.632311 0.306878
N 2.365805 1.373456 -0.064179
N 0.476552 -2.909856 0.250945
C 0.465185 0.121874 -0.176705
C 1.544418 -0.756248 -0.338076
C 0.993796 1.443536 -0.009847
C 2.729474 0.040360 -0.260250
C -0.992562 0.209430 -0.110496
C 1.510151 -2.223431 -0.597775
C -1.338187 1.596591 0.078969
C -0.084929 2.440056 0.152835
C 4.138396 -0.391465 -0.368962
C 3.263907 2.523261 0.065408
C -1.975347 -0.757851 -0.189716
C -2.654118 1.991400 0.173258
C -3.312347 -0.323808 -0.091370
C -3.666181 1.006319 0.083034
C 0.788090 -2.773712 1.704016
C 0.390868 -4.353065 -0.127590
H 1.218237 -2.383694 -1.665429
H 2.528114 -2.660707 -0.477347
H 4.216369 -1.490688 -0.382747
H 4.607512 -0.024826 -1.294932
H 4.747793 -0.040002 0.476765
H 3.915121 2.421931 0.952193
H 3.902798 2.631947 -0.829296
H 2.676362 3.459640 0.180918
H -1.710190 -1.814414 -0.309372
H -2.919749 3.039915 0.315406
H -4.710949 1.308263 0.154042
H 1.739806 -3.222885 2.019489
H -0.026143 -3.231979 2.287567
H 0.807743 -1.701415 1.965685
H 0.092721 -4.432619 -1.185161
H -0.408057 -4.827533 0.465942
H 1.314832 -4.930181 0.019339


%chk=000216357-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216357

0 1
Br -4.777418 -1.667901 -0.113270
O 0.015390 3.705553 0.233809
N 2.376123 1.390433 -0.078268
N 0.516616 -2.955819 0.261254
C 0.477436 0.131205 -0.153836
C 1.581457 -0.760472 -0.296504
C 0.989874 1.439150 -0.022164
C 2.757980 0.051808 -0.243026
C -1.000819 0.218288 -0.090043
C 1.544695 -2.250018 -0.546715
C -1.341229 1.606024 0.056848
C -0.070787 2.444988 0.109097
C 4.205395 -0.334033 -0.348938
C 3.268525 2.554505 0.027445
C -2.003430 -0.761202 -0.135143
C -2.672739 2.020450 0.143380
C -3.349394 -0.315465 -0.047500
C -3.706003 1.040028 0.085785
C 0.770248 -2.872263 1.715342
C 0.337321 -4.351490 -0.190542
H 1.298401 -2.437157 -1.612054
H 2.564645 -2.686320 -0.380665
H 4.312014 -1.430301 -0.322126
H 4.664775 0.018927 -1.293470
H 4.806521 0.082265 0.481961
H 3.917700 2.475265 0.917949
H 3.905433 2.643913 -0.870428
H 2.646136 3.458171 0.118160
H -1.731243 -1.817992 -0.210961
H -2.918327 3.081555 0.255362
H -4.757326 1.333183 0.148497
H 1.715152 -3.387991 2.023159
H -0.069402 -3.335379 2.262843
H 0.838213 -1.815177 2.021663
H 0.065258 -4.367255 -1.261329
H -0.484333 -4.821506 0.378206
H 1.252744 -4.981770 -0.055075


