%chk=000254689.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000254689

0 1
Br 1.655117 4.332792 -1.451323
O -0.410572 0.687622 -1.799061
O -1.807741 2.115492 0.811175
O -0.725407 -1.230170 0.820815
O -3.705061 -0.853731 -1.491544
O -1.221179 2.186553 2.997693
O -2.572630 -2.378869 1.426228
O 5.911645 0.455710 -0.160499
O 2.753616 -2.714680 0.875419
O -2.766684 -2.833220 -2.046018
N 1.379745 1.628803 -0.633863
N 1.955558 -0.726538 0.091561
N 3.551394 2.400627 -0.824978
N 4.336931 -1.099693 0.340891
C -0.791436 1.127137 0.549630
C -1.499519 -0.190960 0.176801
C -0.090256 1.614451 -0.749584
C -1.316798 -0.356117 -1.345503
C -2.619433 -0.145121 -2.132935
C 2.243985 0.565108 -0.311089
C 2.271940 2.704860 -0.957613
C 3.573229 1.056966 -0.416319
C -1.939581 2.593220 2.124690
C -1.370485 -2.323429 1.418418
C 4.730134 0.236846 -0.113120
C 3.031614 -1.602071 0.466814
C -3.039866 3.585005 2.135976
C -3.669367 -2.246964 -1.500521
C -0.334891 -3.231558 1.949980
C -4.831962 -2.754904 -0.736674
H -0.115880 1.015319 1.434061
H -2.564491 -0.236898 0.508979
H -0.463613 2.616042 -1.089314
H -0.820499 -1.318154 -1.618950
H -2.969323 0.903913 -2.104657
H -2.517432 -0.487659 -3.179089
H 0.989800 -1.096077 0.124665
H 5.101748 -1.745667 0.595249
H -3.517108 3.709593 1.148817
H -2.672828 4.575708 2.456510
H -3.827629 3.289082 2.850857
H -0.247267 -3.142341 3.047070
H 0.684808 -3.047195 1.542845
H -0.576880 -4.285864 1.727957
H -5.186637 -3.717366 -1.136241
H -4.536806 -2.924146 0.321290
H -5.677003 -2.049257 -0.720498


%chk=000254689-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000254689

0 1
Br 1.550825 4.188347 -1.985360
O -0.228759 0.294766 -1.744882
O -1.710065 2.156654 0.637432
O -0.470135 -1.298404 0.908222
O -3.869872 -0.576765 -1.219484
O -1.873490 1.639095 2.905484
O -2.303984 -2.718780 1.115917
O 6.120554 0.672619 -0.236010
O 3.084730 -2.592320 1.231655
O -3.476231 -2.450083 -2.552888
N 1.520194 1.539964 -0.712267
N 2.194118 -0.635529 0.318362
N 3.623274 2.389749 -1.085310
N 4.542461 -0.910860 0.471100
C -0.685844 1.092170 0.510400
C -1.363285 -0.280852 0.293102
C 0.071010 1.406557 -0.816578
C -1.404228 -0.457543 -1.237259
C -2.707395 0.085905 -1.863283
C 2.440164 0.591154 -0.255402
C 2.328012 2.607419 -1.220870
C 3.720708 1.121421 -0.481323
C -2.239799 2.341910 1.942754
C -1.093818 -2.519567 1.327683
C 4.910215 0.363886 -0.111652
C 3.272375 -1.456534 0.708483
C -3.247904 3.462724 1.957691
C -4.125449 -1.906129 -1.634957
C -0.111394 -3.409002 2.036904
C -5.214797 -2.517988 -0.793872
H -0.051147 1.084410 1.412987
H -2.359233 -0.358581 0.756115
H -0.303613 2.361902 -1.225050
H -1.256308 -1.505107 -1.543241
H -2.850959 1.157939 -1.657062
H -2.706774 -0.111167 -2.948172
H 1.241714 -1.002778 0.506329
H 5.330466 -1.504491 0.750067
H -3.384441 3.897743 0.957867
H -2.911137 4.245423 2.659526
H -4.212813 3.081601 2.334206
H -0.088876 -3.132383 3.108203
H 0.916914 -3.298245 1.651009
H -0.445567 -4.454743 1.961528
H -5.647335 -3.385471 -1.313293
H -4.761404 -2.857901 0.155753
H -5.996680 -1.779936 -0.555565


