%chk=000261810.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000261810

0 1
Br -0.621668 -0.659270 -3.848136
O 0.032106 0.311616 1.834599
O 2.187309 -0.459632 -2.206715
N 1.199217 -0.095067 -0.134529
N -1.237706 0.027472 -0.081142
N -1.311616 -0.199639 -1.401584
C 2.504405 0.013423 0.627002
C -2.523104 0.225899 0.696975
C 0.018959 0.103261 0.638258
C 3.121176 1.363627 0.312433
C 3.397906 -1.192624 0.399145
C -3.366992 -1.034416 0.674813
C -3.259469 1.464348 0.223037
C 1.183830 -0.322225 -1.560198
C -0.209280 -0.362749 -2.072588
C 3.000536 2.391610 1.260302
C 2.837473 -2.474298 0.276686
C 3.784537 1.609771 -0.897695
C 4.793091 -1.051104 0.406899
C -3.601453 -1.692029 1.893583
C -3.417290 2.524702 1.130565
C -3.915621 -1.552713 -0.505377
C -3.783684 1.580044 -1.070913
C 3.550068 3.650080 1.001768
C 3.662675 -3.592511 0.134613
C 4.330996 2.869951 -1.152840
C 5.614902 -2.173530 0.268152
C -4.383061 -2.849301 1.927760
C -4.099530 3.681630 0.746631
C -4.693710 -2.713312 -0.468134
C -4.462078 2.740876 -1.453105
C 4.216598 3.890976 -0.204000
C 5.053365 -3.445518 0.127576
C -4.930385 -3.362358 0.747120
C -4.622936 3.792127 -0.545863
H 2.233592 -0.014402 1.732406
H -2.178104 0.404740 1.767207
H 2.474021 2.214294 2.198594
H 1.757311 -2.608615 0.289525
H 3.868619 0.811522 -1.644019
H 5.249085 -0.067176 0.521893
H -3.174897 -1.304842 2.818811
H -3.007713 2.452441 2.137950
H -3.733405 -1.050995 -1.460240
H -3.659804 0.762516 -1.787054
H 3.455982 4.444335 1.740361
H 3.219430 -4.581580 0.029060
H 4.844189 3.055637 -2.095324
H 6.697190 -2.052786 0.268456
H -4.563971 -3.353247 2.876021
H -4.221033 4.499497 1.455251
H -5.115175 -3.111398 -1.390100
H -4.864517 2.824549 -2.461639
H 4.643161 4.872179 -0.404494
H 5.694457 -4.317299 0.013941
H -5.538006 -4.265319 0.774915
H -5.152575 4.695230 -0.844516


%chk=000261810-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000261810

0 1
Br -0.453354 -1.103289 -3.925288
O 0.061811 0.453170 1.845516
O 2.175898 -0.638713 -2.226334
N 1.162060 -0.128951 -0.161150
N -1.226948 -0.024632 -0.051086
N -1.342313 -0.391223 -1.369876
C 2.497445 0.073265 0.531853
C -2.510945 0.202605 0.704346
C 0.006921 0.126096 0.627994
C 3.113446 1.412444 0.106794
C 3.385951 -1.175558 0.449262
C -3.387160 -1.055682 0.636771
C -3.198571 1.511230 0.305408
C 1.135139 -0.469657 -1.546475
C -0.250593 -0.599382 -2.064203
C 2.859439 2.549723 0.915777
C 2.813251 -2.471201 0.403745
C 3.898556 1.560892 -1.066164
C 4.791833 -1.060059 0.578337
C -3.128371 -2.104534 1.556482
C -3.724295 2.324001 1.341404
C -4.429955 -1.209201 -0.307006
C -3.357957 1.928718 -1.040927
C 3.376370 3.815942 0.562304
C 3.625846 -3.623081 0.456676
C 4.415325 2.826488 -1.417608
C 5.606694 -2.212611 0.636403
C -3.892086 -3.291313 1.527923
C -4.400199 3.527469 1.043484
C -5.195910 -2.395826 -0.336302
C -4.025425 3.137871 -1.338664
C 4.157326 3.957405 -0.607472
C 5.029428 -3.500118 0.571576
C -4.929742 -3.440270 0.578348
C -4.552056 3.939524 -0.300238
H 2.199728 0.180828 1.591897
H -2.160910 0.314468 1.744971
H 2.248867 2.441014 1.820632
H 1.726094 -2.589293 0.323932
H 4.083952 0.690612 -1.701654
H 5.253572 -0.069096 0.634973
H -2.327475 -1.988796 2.298116
H -3.600918 2.014771 2.386590
H -4.650908 -0.401623 -1.011256
H -2.954389 1.315821 -1.853130
H 3.172647 4.685174 1.197349
H 3.163708 -4.615444 0.408401
H 5.017263 2.930451 -2.327207
H 6.692768 -2.102258 0.732017
H -3.684079 -4.092785 2.245398
H -4.798772 4.144453 1.856378
H -6.000795 -2.504770 -1.071671
H -4.135083 3.451742 -2.382708
H 4.560772 4.937814 -0.885085
H 5.661820 -4.393850 0.611885
H -5.527252 -4.358468 0.555331
H -5.070066 4.876092 -0.534663


