%chk=000191881.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191881

0 1
Br 2.201750 1.428736 1.857819
O 0.675848 -1.116865 1.513549
O 1.497211 0.268040 -1.564693
N 0.625646 -1.016568 0.107883
N -1.919173 -3.233477 -0.164615
C -1.282814 1.629363 -0.065175
C -1.615426 0.183668 0.364445
C -0.786069 -0.875529 -0.381307
C -1.508978 1.841449 -1.565058
C -2.128075 2.609374 0.757469
C -1.417315 -2.198278 -0.256250
C 1.609344 -0.103221 -0.416566
C 2.786670 0.200333 0.469150
H -0.203650 1.827703 0.157338
H -1.450758 0.077179 1.458529
H -2.695013 -0.010821 0.203584
H -0.710651 -0.608467 -1.486405
H -2.525707 1.577858 -1.872049
H -0.804882 1.246016 -2.164016
H -1.347889 2.889384 -1.844689
H -1.879125 3.647655 0.508740
H -3.200036 2.481783 0.571483
H -1.960466 2.484704 1.832754
H 3.602280 0.681333 -0.109001
H 3.196050 -0.705948 0.958350
H 0.724127 -2.120004 1.678631


%chk=000191881-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191881

0 1
Br 2.858938 1.759044 1.390743
O 0.681848 -1.004805 1.652629
O 1.558780 0.163088 -1.649677
N 0.596280 -0.797618 0.221031
N -1.700439 -3.347756 -0.037622
C -1.386786 1.654053 -0.011046
C -1.750846 0.173475 0.275797
C -0.770371 -0.859940 -0.354990
C -1.451822 1.993873 -1.519773
C -2.334499 2.568555 0.801783
C -1.283394 -2.241617 -0.198067
C 1.663994 -0.180356 -0.434355
C 2.937733 0.008816 0.368837
H -0.352078 1.836487 0.344246
H -1.783797 -0.004291 1.366807
H -2.761904 -0.040419 -0.124462
H -0.628819 -0.646324 -1.431889
H -2.450203 1.753937 -1.935131
H -0.684943 1.453512 -2.103093
H -1.273664 3.073194 -1.676887
H -2.077732 3.632111 0.647272
H -3.386719 2.426801 0.487291
H -2.270500 2.357636 1.885469
H 3.785382 0.113415 -0.320333
H 3.101818 -0.762245 1.132215
H 0.646645 -1.997228 1.773108


