%chk=000283825.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000283825

0 1
Br 7.656173 1.125429 1.303939
F -5.286596 2.431294 0.429788
F -5.915777 0.326340 -0.149224
F -5.305636 0.778543 1.982472
O -0.349768 -1.134861 -2.611352
O -2.503947 -3.226925 -0.267878
O -0.285836 -2.751251 -0.105283
O 1.924506 -1.393844 -2.366015
N -1.523493 -2.394867 -0.176086
C -0.841999 0.052385 -0.302757
C -1.847157 -0.942536 -0.122132
C 0.598475 -0.213521 -0.634824
C -3.562296 0.729506 0.287885
C -1.264379 1.402010 -0.167456
C -3.187986 -0.622235 0.160386
C -2.595938 1.747520 0.130826
C 1.532521 0.345059 0.234162
C 2.993913 0.447713 0.373615
C -4.988930 1.064736 0.624886
C 0.847589 -0.963991 -1.894235
C 4.003353 -0.157853 -0.437732
C 3.430469 1.251077 1.477449
C 5.370804 0.041884 -0.161574
C 4.791477 1.460554 1.759479
C 5.755135 0.849761 0.928879
H -0.528438 2.194267 -0.334339
H -3.911398 -1.434348 0.274502
H -2.886404 2.798291 0.218430
H 1.036718 0.855849 1.074934
H 3.710132 -0.788382 -1.276968
H 2.683186 1.722402 2.127787
H 6.128793 -0.432455 -0.791327
H 5.096235 2.080679 2.606729
H -0.154501 -1.655827 -3.435964


%chk=000283825-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000283825

0 1
Br 7.676438 1.034066 1.202124
F -5.453071 2.213125 -0.078574
F -5.922338 0.011138 0.238407
F -5.222362 1.289063 1.974744
O -0.262130 -1.036830 -2.628387
O -2.479864 -3.239076 -0.244448
O -0.263903 -2.734020 -0.194712
O 2.002349 -1.311459 -2.271884
N -1.508143 -2.392345 -0.203188
C -0.852022 0.065025 -0.272378
C -1.848453 -0.944630 -0.133925
C 0.597673 -0.174592 -0.582040
C -3.593059 0.697861 0.269177
C -1.293081 1.408128 -0.115393
C -3.200037 -0.644013 0.125690
C -2.633881 1.731762 0.157482
C 1.517848 0.371735 0.298406
C 2.978921 0.455251 0.411457
C -5.022405 1.038777 0.586949
C 0.898870 -0.892512 -1.847830
C 3.948252 -0.159803 -0.439184
C 3.461054 1.236392 1.511281
C 5.326722 0.010939 -0.204190
C 4.834234 1.416714 1.752817
C 5.759671 0.798447 0.883953
H -0.562407 2.211594 -0.247770
H -3.917247 -1.464279 0.211107
H -2.938383 2.778146 0.256613
H 1.028773 0.869975 1.150580
H 3.613928 -0.777275 -1.274940
H 2.742354 1.712939 2.189371
H 6.055682 -0.469674 -0.862776
H 5.177388 2.019867 2.597636
H -0.028371 -1.538036 -3.455171


