%chk=000228264.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228264

0 1
Br 6.448880 -1.338603 0.185431
Br -3.717019 3.677192 0.172002
Br 3.717153 3.676995 0.172197
Br -6.449045 -1.338230 0.184464
O -0.000030 -0.158116 0.094433
O 6.047396 1.730979 0.340134
O -6.047391 1.731267 0.339653
O 6.814408 1.210389 -1.744041
O -6.814054 1.211181 -1.744775
C 0.728559 -2.314182 -0.048967
C -0.728715 -2.314145 -0.049044
C 1.130913 -0.987566 0.039496
C -1.131017 -0.987511 0.039380
C 2.401845 -0.292205 0.085978
C -2.401911 -0.292075 0.085735
C 1.435326 -3.559487 -0.134487
C -1.435537 -3.559416 -0.134635
C 0.723582 -4.717830 -0.214082
C -0.723843 -4.717793 -0.214159
C 2.437890 1.117080 0.113542
C -3.602542 -1.027813 0.101831
C 3.602427 -1.028006 0.102275
C -2.437880 1.117208 0.113370
C 4.824439 -0.360571 0.150975
C -3.661225 1.782048 0.152835
C 3.661264 1.781854 0.153107
C -4.824520 -0.360312 0.150416
C 4.856946 1.043494 0.179669
C -4.856946 1.043758 0.179235
C 7.022625 1.725491 -0.684131
C -7.022416 1.726098 -0.684808
C 8.193951 2.459656 -0.147154
C -8.193762 2.460281 -0.147884
H 2.526250 -3.540575 -0.134466
H -2.526459 -3.540447 -0.134723
H 1.225594 -5.682852 -0.281389
H -1.225896 -5.682791 -0.281512
H 1.498346 1.680287 0.097692
H -3.571896 -2.123984 0.075940
H 3.571727 -2.124178 0.076461
H -1.498306 1.680366 0.097638
H 7.986695 2.929776 0.831042
H 8.511213 3.254708 -0.841825
H 9.050352 1.778512 -0.008848
H -9.050208 1.779159 -0.009754
H -8.510854 3.255466 -0.842466
H -7.986608 2.930243 0.830418


%chk=000228264-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000228264

0 1
Br 6.480690 -1.387737 0.861392
Br -3.783705 3.668071 -0.107379
Br 3.783264 3.668290 -0.110869
Br -6.481676 -1.389001 0.857638
O -0.000283 -0.234073 0.136986
O 6.143030 1.715832 0.505810
O -6.143894 1.714713 0.506019
O 6.756468 1.365810 -1.737822
O -6.754578 1.369682 -1.739131
C 0.732814 -2.377157 -0.136498
C -0.732867 -2.377344 -0.136537
C 1.150807 -1.037836 0.043908
C -1.151203 -1.038105 0.043814
C 2.426727 -0.348970 0.147463
C -2.427232 -0.349445 0.147393
C 1.445037 -3.603046 -0.347506
C -1.444685 -3.603481 -0.347493
C 0.720423 -4.778745 -0.534649
C -0.719699 -4.778958 -0.534620
C 2.488946 1.069088 0.008153
C -3.632171 -1.067470 0.398221
C 3.631538 -1.066717 0.399674
C -2.489440 1.068758 0.009478
C 4.852018 -0.380308 0.489174
C -3.721845 1.730514 0.102623
C 3.721292 1.730972 0.101247
C -4.852710 -0.381174 0.487785
C 4.926719 1.024737 0.336049
C -4.927373 1.024016 0.336116
C 7.031495 1.834178 -0.624950
C -7.030827 1.835851 -0.625634
C 8.262971 2.587468 -0.195600
C -8.262407 2.589019 -0.196367
H 2.537033 -3.623917 -0.392191
H -2.536669 -3.624767 -0.392149
H 1.251091 -5.721810 -0.703052
H -1.250088 -5.722188 -0.702981
H 1.574100 1.635037 -0.179395
H -3.616491 -2.145477 0.563371
H 3.615723 -2.144538 0.566072
H -1.574509 1.634928 -0.176971
H 7.979491 3.575597 0.205470
H 8.941703 2.708042 -1.051559
H 8.773125 2.038911 0.615107
H -8.772122 2.041026 0.614967
H -8.941408 2.708995 -1.052195
H -7.978926 3.577532 0.203818


