%chk=000290532.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290532

0 1
Br -8.420784 3.413663 -0.071409
N 5.665386 1.518747 -0.367856
N 2.366571 -1.204183 0.543487
N -1.574533 -2.462901 -0.263065
C 4.827000 -1.285413 0.481756
C 4.995953 -0.815113 -0.967099
C 3.540849 -2.109945 0.686558
C 6.080045 0.270318 -1.092114
C 6.840446 2.427782 -0.148435
C 4.561502 2.224957 -1.102137
C 3.539290 -2.779688 2.067986
C 1.074859 -1.655758 0.310027
C 7.732647 1.874029 0.963941
C 3.858870 3.214789 -0.171776
C 0.006297 -0.721170 0.349785
C 0.782082 -3.003348 -0.013863
C -1.292289 -1.158726 0.057035
C -0.542813 -3.345973 -0.291545
C -2.415230 -0.201650 0.088998
C -3.692257 -0.550896 -0.126478
C -4.810868 0.404824 -0.100493
C -4.913369 1.376858 0.908872
C -5.800941 0.333108 -1.097191
C -5.986945 2.271682 0.922947
C -6.872880 1.227931 -1.094225
C -6.952159 2.187432 -0.081836
H 5.702793 -1.888338 0.787640
H 4.837460 -0.401223 1.156916
H 4.030899 -0.423277 -1.354322
H 5.258239 -1.669330 -1.619244
H 3.469963 -2.901770 -0.107015
H 6.302030 0.450419 -2.166149
H 7.024495 -0.099654 -0.633935
H 7.436523 2.592548 -1.071724
H 6.454570 3.425730 0.160997
H 3.824894 1.457105 -1.437944
H 4.915695 2.745127 -2.017843
H 3.655695 -2.051522 2.878599
H 4.352836 -3.506679 2.159955
H 2.598783 -3.314901 2.252371
H 2.500405 -0.247014 0.861644
H 7.141433 1.647167 1.861365
H 8.231976 0.945108 0.666654
H 8.505594 2.596887 1.243650
H 3.584151 2.735029 0.776623
H 4.499600 4.068310 0.078548
H 2.945365 3.605126 -0.631860
H 0.191998 0.316993 0.597748
H 1.561718 -3.753821 -0.054426
H -0.812349 -4.377482 -0.550874
H -2.132768 0.833650 0.294706
H -3.966066 -1.592140 -0.348322
H -4.156972 1.428626 1.691869
H -5.728633 -0.421277 -1.881232
H -6.062766 3.021799 1.710992
H -7.634590 1.171847 -1.872960


%chk=000290532-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000290532

0 1
Br -7.377961 4.345017 0.707223
N 4.377094 1.150310 -0.444843
N 3.190558 -1.394840 0.302736
N -0.992249 -2.115127 -0.242859
C 5.638478 -1.778653 0.360733
C 6.004773 -0.797047 -0.787604
C 4.235094 -2.435982 0.316254
C 5.810037 0.700564 -0.444851
C 4.167667 2.322009 0.466973
C 3.969135 1.465359 -1.857647
C 4.085789 -3.380030 1.538177
C 1.843498 -1.664743 0.127465
C 4.179662 1.939794 1.958855
C 2.458599 1.648541 -2.082406
C 0.878803 -0.619058 0.289089
C 1.321419 -2.952582 -0.217888
C -0.500082 -0.867057 0.099983
C -0.071186 -3.105488 -0.386872
C -1.469686 0.227685 0.275061
C -2.819790 0.073246 0.110303
C -3.854549 1.104728 0.262326
C -3.576470 2.454716 0.631039
C -5.216378 0.752048 0.033202
C -4.604532 3.407934 0.762693
C -6.260165 1.692717 0.160133
C -5.940435 3.016018 0.524409
H 6.370730 -2.608299 0.376187
H 5.741927 -1.256525 1.334479
H 5.442888 -1.057426 -1.706556
H 7.075774 -0.928885 -1.038739
H 4.171332 -3.048056 -0.614340
H 6.396696 1.326135 -1.159348
H 6.235228 0.884675 0.558430
H 4.930481 3.113482 0.267411
H 3.184474 2.761718 0.224268
H 4.315658 0.625626 -2.487616
H 4.516921 2.374324 -2.209179
H 4.260447 -2.815044 2.471944
H 4.820925 -4.204485 1.483602
H 3.077490 -3.821508 1.598451
H 3.518586 -0.402711 0.169552
H 3.407460 1.180717 2.175839
H 5.155160 1.532592 2.280217
H 3.974365 2.832370 2.577668
H 1.896400 0.748446 -1.783839
H 2.047215 2.513354 -1.531384
H 2.269970 1.828875 -3.156578
H 1.211920 0.381969 0.588226
H 1.976626 -3.812440 -0.378635
H -0.474287 -4.089100 -0.660321
H -1.041496 1.201228 0.552039
H -3.154635 -0.935659 -0.166643
H -2.544895 2.769737 0.820801
H -5.459370 -0.279000 -0.249496
H -4.373206 4.438692 1.046710
H -7.298209 1.399519 -0.020538


