%chk=000211568.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211568

0 1
Br 6.235784 2.336298 0.324017
O -2.503283 0.142912 -0.132291
O 1.647604 -2.741345 -0.358302
O -5.505108 1.944037 -0.262555
O -3.438405 2.551501 -0.536364
N -4.305358 1.730611 -0.308586
C 2.586282 -0.581493 -0.092556
C -2.340682 -1.223336 0.137140
C 1.457392 -1.548606 -0.237996
C -0.977251 -1.713203 0.126946
C -3.567724 -1.824245 0.362615
C 0.076443 -0.976147 -0.248709
C 2.432358 0.643431 0.572842
C 3.837230 -0.940429 -0.620358
C -3.888197 0.356718 -0.063200
C -4.565177 -0.809183 0.232158
C 3.518512 1.513240 0.701486
C 4.926813 -0.073611 -0.502887
C 4.751894 1.144714 0.157228
H -0.858228 -2.760413 0.450254
H -3.752938 -2.859761 0.590911
H -0.023407 0.056208 -0.597130
H 1.469053 0.924499 1.002900
H 3.953333 -1.907563 -1.119943
H -5.631927 -0.932763 0.343026
H 3.397814 2.466032 1.220508
H 5.896475 -0.353103 -0.919154


%chk=000211568-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211568

0 1
Br 6.594566 2.171553 0.121761
O -2.649346 0.187896 0.080556
O 1.594595 -2.669308 -0.241437
O -5.886795 1.709042 0.258528
O -3.782984 2.643645 0.295541
N -4.590264 1.637206 0.229980
C 2.634525 -0.501242 -0.058995
C -2.391197 -1.201624 -0.034670
C 1.440686 -1.407466 -0.122397
C -1.025369 -1.643247 -0.094100
C -3.615416 -1.891294 -0.068823
C 0.073650 -0.823316 -0.047576
C 2.548848 0.909077 0.102218
C 3.921032 -1.099181 -0.163604
C -4.038140 0.315248 0.114795
C -4.665454 -0.925194 0.027530
C 3.713870 1.702914 0.157377
C 5.091929 -0.321942 -0.111677
C 4.973897 1.077630 0.048979
H -0.858525 -2.724483 -0.184590
H -3.726881 -2.970437 -0.153678
H -0.063769 0.258021 0.040459
H 1.582355 1.413588 0.190412
H 3.975205 -2.185740 -0.285887
H -5.739014 -1.092899 0.033237
H 3.640654 2.786714 0.282361
H 6.076644 -0.790161 -0.194299


