%chk=000213877.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213877

0 1
Br 5.433661 -0.396004 -0.408767
O -0.466096 0.674019 0.274655
N -3.927026 -0.446564 -0.059835
C -2.793729 0.489372 0.224902
C -1.508047 -0.272792 -0.129509
C -5.089661 0.280145 -0.648679
C -4.338326 -1.180519 1.173323
C 0.843163 0.326443 0.070426
C 1.286901 -0.875078 -0.499121
C 1.748434 1.322829 0.501948
C 2.663331 -1.083110 -0.639282
C 3.111697 1.100591 0.355843
C 3.558001 -0.101635 -0.213730
H -2.746357 0.843756 1.277084
H -2.857366 1.408366 -0.397140
H -1.419496 -0.469666 -1.210369
H -1.385291 -1.202983 0.447890
H -4.780406 0.741077 -1.601086
H -5.524520 1.060190 -0.007112
H -5.881153 -0.449024 -0.888713
H -5.087022 -1.941637 0.898183
H -4.763961 -0.550859 1.968461
H -3.469371 -1.717094 1.586134
H 0.591877 -1.639367 -0.831684
H 1.362795 2.241812 0.938399
H 3.024620 -2.013811 -1.081493
H 3.826751 1.858246 0.682972


%chk=000213877-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000213877

0 1
Br 5.526228 -0.560874 -0.357016
O -0.466571 0.804242 0.250901
N -3.988159 -0.385607 -0.107681
C -2.857715 0.533382 0.157538
C -1.517434 -0.172934 -0.090465
C -5.211538 0.312820 -0.551837
C -4.259224 -1.313472 1.010035
C 0.867845 0.414431 0.085444
C 1.281030 -0.857624 -0.384774
C 1.835668 1.393716 0.425299
C 2.660579 -1.143754 -0.513893
C 3.208524 1.108958 0.296876
C 3.608965 -0.161682 -0.173590
H -2.867619 0.945695 1.195957
H -2.925756 1.393607 -0.531968
H -1.437763 -0.472106 -1.153499
H -1.406654 -1.073564 0.546562
H -4.991175 0.924425 -1.444372
H -5.653256 0.982254 0.228975
H -5.978938 -0.431512 -0.831349
H -5.030597 -2.043059 0.705625
H -4.618606 -0.792508 1.933582
H -3.349138 -1.879982 1.272829
H 0.553613 -1.628432 -0.653984
H 1.495972 2.368785 0.786607
H 2.981918 -2.124154 -0.877398
H 3.953206 1.865652 0.559294


