%chk=000299770.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299770

0 1
Br 4.893623 2.487545 1.992799
Br 2.992477 -4.775108 -1.094120
O -3.018442 1.484173 1.593441
N -0.282229 2.358838 -1.537799
N 4.607354 -0.087885 1.129912
N -3.760549 -0.405708 0.560018
C 0.463422 0.052192 -1.111748
C 0.923067 1.549872 -1.183763
C -0.669218 -0.134307 -0.084397
C -1.841055 0.800788 -0.421904
C 1.683367 2.048743 0.085883
C -1.364791 2.267318 -0.509063
C 1.615839 -0.855388 -0.753989
C 2.653136 -0.270325 -0.007295
C 2.763638 1.098898 0.428495
C 3.800640 -0.996986 0.428470
C 0.054563 3.783545 -1.824818
C -2.911402 0.694808 0.667488
C 1.739935 -2.199949 -1.068280
C 3.959329 1.169368 1.112961
C 3.922261 -2.368714 0.109998
C 2.885512 -2.913069 -0.627060
C -4.878292 -0.606909 1.514524
C -6.245865 -0.517732 0.822640
C -6.583163 -1.772225 0.006550
C -7.965000 -1.670516 -0.634869
H 0.077527 -0.215464 -2.129151
H 1.632930 1.633475 -2.050883
H -1.001172 -1.189240 -0.071630
H -0.290884 0.078073 0.937258
H -2.265702 0.515722 -1.416829
H 0.980688 2.142439 0.943055
H 2.083030 3.066958 -0.089314
H -2.210642 2.914894 -0.827489
H -1.057472 2.624639 0.500094
H 0.866365 3.827937 -2.568357
H 0.353169 4.376866 -0.947877
H -0.826313 4.265213 -2.282322
H 0.973326 -2.711428 -1.646958
H 5.488710 -0.286901 1.569421
H 4.782968 -2.948453 0.429949
H -3.729706 -1.030613 -0.235672
H -4.747410 -1.593625 2.011754
H -4.807459 0.169397 2.317681
H -6.285240 0.380345 0.174505
H -7.025492 -0.353482 1.593550
H -6.539387 -2.668105 0.657324
H -5.820614 -1.931410 -0.779940
H -8.034995 -0.811932 -1.312791
H -8.198486 -2.568354 -1.218494
H -8.753595 -1.556417 0.118043


%chk=000299770-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000299770

0 1
Br 4.703274 3.156636 1.772520
Br 3.837488 -4.688170 -0.871370
O -2.705260 0.638818 1.939608
N -0.433631 1.989121 -1.516472
N 4.852455 0.349734 1.059155
N -3.914498 -0.716997 0.477546
C 0.624344 -0.183660 -0.990439
C 0.859498 1.358383 -1.157226
C -0.483871 -0.456469 0.065672
C -1.796372 0.281080 -0.313890
C 1.588104 2.026900 0.076103
C -1.515095 1.790123 -0.527192
C 1.916775 -0.904836 -0.635192
C 2.897295 -0.150141 0.042128
C 2.828003 1.241983 0.405594
C 4.150297 -0.697481 0.447638
C -0.327889 3.379170 -1.994603
C -2.837504 0.096098 0.797407
C 2.217485 -2.256240 -0.901718
C 4.042512 1.510021 1.022116
C 4.463785 -2.053272 0.196317
C 3.468924 -2.790440 -0.478270
C -4.994551 -1.025141 1.431535
C -6.372140 -0.476480 0.993567
C -6.916419 -1.106738 -0.309604
C -8.324589 -0.589880 -0.676333
H 0.251077 -0.545023 -1.969763
H 1.531835 1.488215 -2.029924
H -0.662998 -1.545975 0.139817
H -0.155780 -0.119572 1.067203
H -2.170277 -0.136300 -1.271779
H 0.904511 2.049704 0.948004
H 1.829168 3.078808 -0.165197
H -2.424625 2.284578 -0.918649
H -1.301434 2.248240 0.467268
H 0.458971 3.443932 -2.768007
H -0.088158 4.123963 -1.196826
H -1.285081 3.683376 -2.456595
H 1.506709 -2.896977 -1.432543
H 5.785838 0.307816 1.462560
H 5.409186 -2.514478 0.492843
H -3.962456 -1.112683 -0.462600
H -5.057201 -2.123647 1.571897
H -4.686629 -0.574965 2.391216
H -6.303758 0.623213 0.880042
H -7.092607 -0.669249 1.814507
H -6.943651 -2.210453 -0.197240
H -6.224195 -0.890065 -1.149756
H -8.318428 0.507072 -0.818040
H -8.695567 -1.050332 -1.610149
H -9.050571 -0.819522 0.126112


