%chk=000250041.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250041

0 1
Br 3.355469 2.303273 0.439209
O 5.574957 0.051330 -0.170996
N -0.403513 0.111703 0.075283
N 0.833756 0.708257 0.176753
N 4.144445 -1.682554 -0.518264
N 2.933454 -2.246450 -0.603945
C -1.498941 0.793798 0.273772
C -1.627400 2.256998 0.626824
C -2.764696 0.020406 0.147728
C -1.294355 3.161778 -0.555337
C -3.755094 0.452107 -0.748551
C -2.970844 -1.128364 0.925847
C 1.946888 -0.088131 -0.060790
C -4.949644 -0.263285 -0.857508
C -4.171111 -1.836134 0.812745
C -5.160294 -1.405083 -0.076251
C 3.206237 0.480850 0.021117
C 1.860484 -1.509210 -0.390378
C 4.411816 -0.281218 -0.202970
H -2.660388 2.471402 0.980289
H -0.980919 2.496914 1.497578
H -1.440441 4.218158 -0.294910
H -1.937389 2.949504 -1.419818
H -0.257979 3.051554 -0.895572
H -3.590271 1.336621 -1.361793
H -2.194385 -1.470728 1.609955
H 0.936114 1.712611 0.387709
H -5.718114 0.067660 -1.554849
H -4.332370 -2.728039 1.417157
H -6.093668 -1.959362 -0.163474
H 0.875698 -1.993493 -0.469476
H 4.939297 -2.314575 -0.696382


%chk=000250041-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000250041

0 1
Br 3.448787 2.436130 0.328564
O 5.682267 0.146641 0.079127
N -0.407810 0.034378 0.106193
N 0.825647 0.660288 0.153679
N 4.220961 -1.668650 -0.111628
N 3.011372 -2.303581 -0.177357
C -1.504767 0.776769 0.210010
C -1.484885 2.294620 0.360974
C -2.798671 0.045869 0.134203
C -1.386886 3.032758 -1.005022
C -4.032053 0.741241 -0.012766
C -2.832690 -1.378392 0.200898
C 1.991481 -0.085230 0.068518
C -5.254600 0.038869 -0.090477
C -4.052207 -2.076056 0.126759
C -5.272924 -1.371602 -0.019319
C 3.258710 0.511165 0.124973
C 1.928542 -1.529151 -0.089341
C 4.487661 -0.265621 0.037403
H -2.392625 2.623225 0.893436
H -0.643244 2.607923 1.012509
H -1.365883 4.126646 -0.853654
H -2.252822 2.790375 -1.645631
H -0.475182 2.747917 -1.560955
H -4.049248 1.833977 -0.080346
H -1.888635 -1.917956 0.317533
H 0.925677 1.679563 0.261333
H -6.191638 0.594281 -0.207890
H -4.056244 -3.170042 0.187368
H -6.222059 -1.915778 -0.074757
H 0.959669 -2.024387 -0.143969
H 5.041098 -2.277889 -0.179666


