%chk=000278995.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000278995

0 1
Br -2.198534 3.110439 2.962316
O 0.285657 3.986369 -1.721226
O -1.324060 4.894521 0.585691
O 5.944797 -3.258756 -1.833538
O -5.850914 -1.820162 -0.823429
N 1.756433 -0.617114 0.788193
N -0.406172 -1.609770 0.455677
C 0.499072 -0.505542 -0.026320
C 1.358517 -1.263345 2.085324
C 0.012832 -1.983322 1.847756
C -0.017383 0.920608 0.158730
C 2.826946 -1.331088 0.101523
C -1.804177 -1.556369 0.157708
C 0.309289 1.864386 -0.815127
C -0.771543 1.297047 1.282819
C 4.050211 -0.653902 0.006213
C -2.254601 -0.896481 -1.003253
C 2.678306 -2.621345 -0.449475
C -2.732124 -2.284566 0.941081
C -0.136160 3.195313 -0.685551
C -1.211935 2.611420 1.405105
C -0.928923 3.573692 0.422812
C 5.138487 -1.254920 -0.634874
C -3.598268 -0.952104 -1.380706
C 3.747444 -3.229975 -1.090351
C -4.069928 -2.345641 0.574710
C 4.974582 -2.535173 -1.175191
C -4.495249 -1.674133 -0.588351
C 0.111335 5.423745 -1.614183
C -2.707719 5.145041 0.209264
C 7.249816 -2.652596 -1.992675
C -6.395850 -1.187876 -2.004004
H 0.696153 -0.700225 -1.117220
H 2.139973 -1.950807 2.460142
H 1.255381 -0.444690 2.830526
H -0.732817 -1.705968 2.619403
H 0.128630 -3.087736 1.872820
H 0.925058 1.606376 -1.677520
H -1.007892 0.562233 2.052446
H 4.150395 0.346017 0.433513
H -1.562212 -0.334840 -1.628120
H 1.717057 -3.135909 -0.373588
H -2.408877 -2.816303 1.833608
H 6.081792 -0.724214 -0.704001
H -3.922641 -0.436156 -2.278972
H 3.663733 -4.222769 -1.527150
H -4.795086 -2.901774 1.165919
H 0.406142 5.783171 -0.621342
H 0.786462 5.788958 -2.396687
H -0.930979 5.675398 -1.826062
H -2.836755 6.189165 0.515803
H -2.822807 5.019253 -0.870103
H -3.391657 4.491439 0.757326
H 7.704540 -2.466481 -1.015619
H 7.794775 -3.434762 -2.537447
H 7.174824 -1.739357 -2.589790
H -7.455234 -1.468329 -1.940080
H -6.274571 -0.102656 -1.945580
H -5.935871 -1.602234 -2.905593


%chk=000278995-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000278995

0 1
Br -3.725522 3.663099 1.764228
O 0.904066 5.007699 -0.637715
O -1.603520 5.651916 0.622098
O 4.842788 -3.597911 -2.520644
O -5.024111 -4.005041 -0.805624
N 1.514177 -0.014784 0.407457
N -0.644034 -0.816950 0.887371
C 0.093793 0.142793 0.015438
C 1.429113 -0.260013 1.883272
C 0.212434 -1.222594 2.024352
C -0.358260 1.603452 0.202035
C 2.333226 -0.945789 -0.337343
C -1.735046 -1.585381 0.441738
C 0.464419 2.650563 -0.274375
C -1.593496 1.907622 0.817700
C 3.737058 -0.883285 -0.156421
C -2.469257 -1.225366 -0.725421
C 1.813925 -1.910720 -1.246887
C -2.157282 -2.745883 1.160953
C 0.061459 3.991378 -0.133524
C -1.999380 3.252712 0.933667
C -1.198213 4.316314 0.458296
C 4.609209 -1.751604 -0.847107
C -3.559410 -2.003632 -1.174447
C 2.676965 -2.763287 -1.959690
C -3.245730 -3.515218 0.717708
C 4.077212 -2.693890 -1.762495
C -3.952036 -3.157338 -0.455877
C 1.459287 5.921716 0.389911
C -1.946464 6.348787 -0.642999
C 6.294790 -3.560424 -2.343720
C -5.787122 -3.650261 -2.000389
H -0.031143 -0.126711 -1.050156
H 2.363979 -0.694955 2.264697
H 1.231233 0.695490 2.400045
H -0.305725 -1.102627 2.994649
H 0.534702 -2.281336 1.925145
H 1.438624 2.431706 -0.720951
H -2.220704 1.100930 1.205367
H 4.149984 -0.125274 0.518736
H -2.214948 -0.315497 -1.279808
H 0.733922 -2.024151 -1.389004
H -1.636817 -3.046757 2.075021
H 5.687408 -1.668409 -0.680731
H -4.094498 -1.686893 -2.075135
H 2.282265 -3.505439 -2.660388
H -3.566388 -4.403349 1.271253
H 2.116580 5.358813 1.079515
H 2.049736 6.663873 -0.168374
H 0.649446 6.414584 0.956461
H -2.199694 7.377877 -0.347302
H -1.085531 6.342796 -1.335502
H -2.822546 5.865459 -1.113407
H 6.581271 -3.790374 -1.298324
H 6.687059 -4.339285 -3.014129
H 6.712288 -2.575717 -2.632848
H -6.562161 -4.425962 -2.090807
H -6.266739 -2.656515 -1.895469
H -5.148943 -3.655762 -2.906802


