%chk=000254685.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000254685

0 1
Br 1.770083 -3.650991 -0.179808
O -0.545309 0.274112 -1.064161
O -0.256221 -1.764416 1.506763
O -3.364041 -1.104692 -0.136204
O -2.366989 2.884062 -0.547545
O -0.767090 -3.956490 1.760942
O -2.454372 -2.051627 -1.989706
O 5.361211 0.763984 1.430008
O -3.381000 2.617500 1.454762
N 1.371701 -0.890855 -0.388167
N 1.719382 1.616815 -0.353445
N 3.402302 -1.477971 0.542164
N 3.862154 2.280062 0.584754
N 2.290889 3.932415 -0.110076
C -0.959439 -1.710210 0.254037
C -2.118021 -0.710958 0.467146
C -0.037307 -1.045379 -0.818989
C -1.584822 0.625196 -0.091374
C -2.583507 1.485058 -0.858927
C 2.068718 0.293275 -0.097036
C 2.257415 -1.921990 0.042116
C 3.316345 -0.082901 0.475649
C -0.158081 -3.002367 2.167351
C -3.439357 -1.750492 -1.363177
C 4.298603 0.933128 0.895907
C 2.704082 2.583339 0.048915
C 0.754633 -2.821932 3.316657
C -2.844622 3.358888 0.669375
C -4.874301 -1.974665 -1.667780
C -2.554962 4.811245 0.758426
H -1.293046 -2.731592 -0.052990
H -2.423070 -0.632602 1.541301
H -0.077086 -1.570100 -1.811822
H -1.077138 1.205452 0.715998
H -3.632111 1.212242 -0.627216
H -2.396059 1.458797 -1.952858
H 0.803405 1.849785 -0.745876
H 0.793114 -1.779180 3.676486
H 1.794977 -3.079356 3.028762
H 0.476933 -3.472842 4.160546
H -5.547556 -1.537278 -0.910105
H -5.097481 -3.055480 -1.716706
H -5.142952 -1.548660 -2.648539
H -3.457790 5.375071 1.047711
H -1.791431 5.012560 1.529932
H -2.182996 5.231760 -0.190278
H 3.007205 4.608105 0.169577
H 1.890598 4.172078 -1.010701


%chk=000254685-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000254685

0 1
Br 1.997990 -3.631731 -0.264955
O -0.769092 0.211103 -1.054930
O -0.288092 -1.745904 1.533911
O -3.439530 -1.339472 -0.483528
O -2.095134 2.829707 -0.278877
O -1.156106 -3.836332 2.118045
O -2.242947 -2.372614 -2.214104
O 5.200500 1.221843 1.250196
O -2.748931 2.895558 1.961719
N 1.299171 -0.798717 -0.395740
N 1.412736 1.713394 -0.416795
N 3.408072 -1.190911 0.421189
N 3.511087 2.616726 0.386973
N 1.833605 4.041073 -0.432641
C -0.965856 -1.838989 0.224929
C -2.267621 -0.989868 0.360171
C -0.090143 -1.073181 -0.832653
C -1.739756 0.422533 0.064302
C -2.735998 1.487144 -0.371616
C 1.896880 0.440778 -0.161474
C 2.290706 -1.742719 -0.025217
C 3.183066 0.200871 0.350801
C -0.418067 -2.873130 2.397733
C -3.328502 -2.018262 -1.711265
C 4.066154 1.328371 0.715304
C 2.306632 2.765286 -0.139072
C 0.456858 -2.688185 3.608955
C -2.179255 3.446348 0.996344
C -4.705856 -2.264041 -2.280570
C -1.486487 4.785057 0.987129
H -1.143481 -2.890458 -0.039520
H -2.666881 -1.078645 1.381786
H -0.086468 -1.615720 -1.788203
H -1.191232 0.762320 0.966630
H -3.633224 1.462035 0.269328
H -3.002749 1.372117 -1.431831
H 0.477727 1.829878 -0.819570
H 0.300800 -1.692313 4.056147
H 1.518131 -2.744422 3.305613
H 0.245487 -3.475580 4.346105
H -5.312707 -1.344285 -2.249098
H -5.227694 -3.022702 -1.670321
H -4.617848 -2.629918 -3.313327
H -1.768940 5.352186 1.885687
H -0.389367 4.637588 0.988623
H -1.749681 5.354573 0.080420
H 2.503367 4.792705 -0.275413
H 1.074271 4.188807 -1.095523


