%chk=000197605.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197605

0 1
Br -0.321057 2.509684 -0.374428
Br -5.374607 -0.136886 -1.193084
O -1.712491 -2.131023 1.804952
O 0.357407 -0.082616 0.869409
O -3.163138 1.875590 -1.701512
O 1.561244 -4.591477 -0.233640
N -0.637280 -2.972756 1.861557
N 2.308943 -2.770339 0.964802
N 3.506151 2.941226 -0.419154
N 1.952035 2.547874 1.449729
N 1.326345 3.863140 -0.505962
C -1.685573 -1.385447 0.494914
C -0.750944 -2.249818 -0.376917
C -1.076523 0.013906 0.830843
C -3.104837 -1.327561 0.021707
C -0.030928 -3.034674 0.706389
C -1.544212 1.076152 -0.125053
C -3.582124 -0.223954 -0.569288
C -2.726031 0.968765 -0.753307
C 1.328598 -3.600222 0.426224
C 3.736222 -2.883993 0.592405
C 4.168486 -1.731624 -0.330914
C 4.071898 -0.352763 0.337152
C 4.666959 0.740442 -0.558810
C 4.628034 2.135403 0.092080
C -3.769955 3.079000 -1.156416
C 2.374289 3.063377 0.185524
H -1.300821 -2.935745 -1.054094
H -0.079615 -1.656555 -1.019716
H -1.320226 0.282658 1.892011
H -3.692420 -2.233646 0.191853
H 0.725008 -0.129561 -0.046639
H 3.561138 -1.746451 -1.257693
H 5.210917 -1.919726 -0.659522
H 3.905971 -3.864157 0.082542
H 4.346405 -2.895349 1.523477
H 2.048474 -1.954818 1.522078
H 4.599390 -0.370116 1.311629
H 3.015751 -0.113585 0.569133
H 5.719053 0.491265 -0.803224
H 4.142396 0.764568 -1.536301
H 5.545516 2.705311 -0.197577
H 4.643973 2.059147 1.202305
H -4.002987 3.639352 -2.070100
H -3.055918 3.619044 -0.529764
H -4.679803 2.818098 -0.608451
H 1.108046 2.955087 1.848758
H 1.865668 1.525819 1.470930
H 1.173202 4.767044 -0.039585
H 1.604070 4.076011 -1.479550


%chk=000197605-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000197605

0 1
Br -1.991525 3.505286 -0.242413
Br -5.652426 -0.881585 -1.310790
O -1.342975 -1.542537 1.648849
O -0.195015 1.142115 0.862994
O -4.401099 1.952714 -1.568250
O 2.054768 -2.539474 -1.370113
N -0.033478 -2.134050 1.528610
N 2.598465 -2.820441 0.895629
N 3.770869 1.960824 -0.598941
N 2.271783 2.625422 1.225041
N 1.445046 2.170934 -0.939967
C -1.666486 -0.787716 0.328194
C -0.559189 -1.287420 -0.641222
C -1.564510 0.721303 0.732973
C -3.052161 -1.203153 -0.098798
C 0.405627 -1.981307 0.295492
C -2.437491 1.602912 -0.168736
C -3.913099 -0.294869 -0.630744
C -3.583691 1.149708 -0.768307
C 1.752089 -2.480446 -0.133904
C 4.006363 -3.210255 0.684501
C 4.863300 -2.099031 0.021346
C 4.704595 -0.709798 0.674930
C 5.567474 0.380669 -0.003119
C 4.992116 1.804387 0.214509
C -5.471392 2.701576 -0.863631
C 2.611475 2.249687 -0.074638
H -0.949641 -2.003026 -1.387243
H -0.071054 -0.472049 -1.199166
H -1.979846 0.781059 1.761672
H -3.290557 -2.269317 -0.044387
H 0.301338 1.364344 -0.024855
H 4.579501 -2.023800 -1.043957
H 5.922326 -2.426518 0.056068
H 4.042593 -4.117588 0.051707
H 4.416200 -3.471825 1.677278
H 2.235300 -2.718463 1.847345
H 4.945424 -0.762127 1.758027
H 3.641914 -0.410125 0.600031
H 6.610982 0.339445 0.367865
H 5.598590 0.203946 -1.095460
H 5.731086 2.553709 -0.130179
H 4.850540 1.967499 1.311954
H -5.971110 3.287202 -1.648733
H -5.037248 3.376785 -0.104144
H -6.189456 2.003300 -0.396491
H 1.331706 2.397163 1.567915
H 3.014012 2.755889 1.908168
H 0.939094 3.065699 -1.025659
H 1.738978 1.806444 -1.855549


