%chk=000207188.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207188

0 1
Br -6.135191 -1.939261 -1.746946
O 6.291792 -1.782520 -0.560659
O 1.199161 3.072225 -0.089751
N 3.858577 -0.347769 -0.157773
N 0.398357 1.001865 0.459729
N -0.590483 0.099326 0.594579
C 2.562546 0.285643 -0.554308
C 3.847382 -1.823878 -0.421914
C 5.021002 0.292670 -0.854759
C 1.773451 0.487613 0.758061
C 5.170655 -2.418597 0.086197
C 6.315208 -0.357314 -0.339018
C 0.215860 2.364182 0.028233
C -1.191994 2.740081 -0.225720
C -1.842334 0.472333 0.339235
C -2.178882 1.818556 -0.077564
C -2.905631 -0.545654 0.501118
C -1.437703 4.146889 -0.638498
C -3.844474 -0.732433 -0.527482
C -2.980172 -1.315890 1.672317
C -4.849209 -1.683734 -0.353807
C -3.996104 -2.264225 1.819981
C -4.942313 -2.454321 0.807460
H 1.973870 -0.318861 -1.275438
H 2.720818 1.277347 -1.037442
H 3.714327 -2.070780 -1.497478
H 2.993410 -2.273027 0.128384
H 5.021168 1.377155 -0.609591
H 4.968458 0.200542 -1.960747
H 2.290904 1.236112 1.403611
H 1.707221 -0.462356 1.334539
H 5.276493 -2.307799 1.179774
H 5.294440 -3.475166 -0.208227
H 7.200378 -0.041579 -0.917980
H 6.469101 -0.163918 0.737320
H -3.227490 2.064009 -0.253241
H -0.494808 4.707224 -0.773616
H -2.025049 4.691473 0.116034
H -1.985599 4.205055 -1.589858
H -3.777481 -0.149157 -1.446838
H -2.239814 -1.176314 2.461629
H -4.052329 -2.861840 2.730323
H -5.734618 -3.194109 0.927529


%chk=000207188-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000207188

0 1
Br -7.133900 -0.839213 0.348726
O 6.272660 -1.915487 -0.176524
O 1.200503 3.245498 -0.082859
N 3.878058 -0.276398 -0.084351
N 0.376117 1.104677 0.422572
N -0.600726 0.146829 0.510391
C 2.559326 0.261841 -0.473528
C 3.841846 -1.714181 0.287137
C 4.944208 -0.024927 -1.088407
C 1.738381 0.648927 0.782871
C 5.215705 -2.154890 0.819353
C 6.301208 -0.485712 -0.531560
C 0.203269 2.457743 -0.012013
C -1.182498 2.810502 -0.352020
C -1.861545 0.501822 0.176988
C -2.169290 1.843123 -0.257934
C -2.888748 -0.570835 0.287016
C -1.425574 4.224568 -0.805509
C -4.276431 -0.260709 0.268103
C -2.494109 -1.930821 0.420463
C -5.221809 -1.297998 0.373676
C -3.458884 -2.950270 0.526012
C -4.842351 -2.648060 0.501671
H 1.968925 -0.461927 -1.088026
H 2.709038 1.173824 -1.078034
H 3.567124 -2.350716 -0.591980
H 3.080226 -1.876444 1.072723
H 4.984620 1.058899 -1.304483
H 4.743643 -0.564267 -2.048104
H 2.255111 1.470920 1.302174
H 1.615445 -0.210352 1.459471
H 5.447212 -1.599144 1.753596
H 5.236785 -3.239499 1.016698
H 7.097365 -0.385473 -1.287527
H 6.557289 0.117365 0.366064
H -3.195160 2.098866 -0.540135
H -0.813076 4.455661 -1.696502
H -1.100725 4.939015 -0.026728
H -2.487993 4.402195 -1.040194
H -4.625209 0.772499 0.193803
H -1.426572 -2.165273 0.439712
H -3.142699 -3.994133 0.624361
H -5.593865 -3.438247 0.580236


