%chk=000293242.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000293242

0 1
Br -3.062984 -2.089250 1.930094
O 6.464552 -1.125096 -0.007694
O 5.465830 -1.594163 1.850289
N 0.691039 0.994922 -1.369674
N 5.474487 -1.140909 0.713175
C -1.387543 -0.038695 -0.510292
C -0.550943 1.090917 -0.638754
C -2.609646 0.095651 0.184318
C -0.915764 2.336421 -0.075688
C -2.978537 1.335107 0.750436
C -2.131636 2.441948 0.605549
C -1.005232 -1.367229 -1.068565
C -3.485302 -1.067173 0.350860
C -0.021489 3.524713 -0.201686
C -4.256583 1.465591 1.508499
C 1.852907 0.475463 -0.827858
C -4.490966 -1.444989 -0.456875
C 3.032585 0.471752 -1.629279
C 1.892054 -0.060303 0.490439
C -5.326692 -2.653249 -0.191059
C -4.836691 -0.667591 -1.688045
C 4.204883 -0.056577 -1.121203
C 3.070034 -0.584230 0.984666
C 4.235355 -0.587387 0.185403
H -2.419820 3.396851 1.043009
H 0.700596 1.421513 -2.291036
H -0.139306 -1.336004 -1.741148
H -0.751926 -2.065959 -0.251118
H -1.833968 -1.828028 -1.626603
H 1.003468 3.295025 0.130970
H 0.044086 3.872310 -1.242308
H -0.364233 4.377790 0.400170
H -4.256157 0.797951 2.387839
H -4.441077 2.483068 1.873745
H -5.121308 1.172243 0.894922
H 3.013235 0.878713 -2.636086
H 0.990513 -0.055574 1.103038
H -4.712664 -3.567685 -0.154372
H -6.100992 -2.815728 -0.950707
H -5.837834 -2.583453 0.782663
H -4.198236 0.215531 -1.835063
H -4.737152 -1.291600 -2.587989
H -5.876587 -0.312470 -1.650965
H 5.121938 -0.069854 -1.722456
H 3.119307 -1.001983 1.997541


%chk=000293242-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000293242

0 1
Br -2.875378 -2.165628 1.943103
O 6.517971 -1.395746 -0.116193
O 5.419086 -2.049575 1.778652
N 0.767378 1.165567 -1.239203
N 5.458445 -1.443992 0.632096
C -1.316161 0.042844 -0.478236
C -0.519168 1.218462 -0.595946
C -2.587173 0.136365 0.168264
C -0.984911 2.479985 -0.123916
C -3.058346 1.388419 0.669863
C -2.252880 2.537323 0.495864
C -0.835241 -1.277668 -1.044500
C -3.425707 -1.079040 0.342592
C -0.133149 3.727482 -0.266506
C -4.395164 1.498531 1.379071
C 1.901326 0.507876 -0.761073
C -4.483371 -1.505671 -0.399568
C 3.096192 0.518222 -1.548993
C 1.912163 -0.162389 0.501593
C -5.282154 -2.761317 -0.093046
C -4.928048 -0.710723 -1.619363
C 4.258450 -0.115917 -1.096159
C 3.075095 -0.799342 0.954947
C 4.243880 -0.778508 0.156224
H -2.613267 3.500900 0.875156
H 0.907416 1.781943 -2.042938
H -0.175325 -1.120829 -1.914200
H -0.256273 -1.851885 -0.296135
H -1.688275 -1.908361 -1.343239
H 0.896952 3.555080 0.094664
H -0.055254 4.058735 -1.321519
H -0.563773 4.565777 0.305719
H -4.466311 0.775882 2.212477
H -4.545154 2.512641 1.786400
H -5.236781 1.277902 0.696433
H 3.097634 1.026722 -2.520734
H 1.014344 -0.155112 1.126006
H -4.632018 -3.654808 -0.059187
H -6.062176 -2.926798 -0.855513
H -5.772699 -2.691961 0.895897
H -4.312967 0.186904 -1.790748
H -4.878712 -1.345928 -2.525277
H -5.985020 -0.398385 -1.506875
H 5.178388 -0.116436 -1.686540
H 3.101738 -1.309243 1.921685


