%chk=000231564.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231564

0 1
Br -4.500764 -2.950160 0.602750
O -0.294929 -1.637615 -0.265990
O 1.255757 2.598420 0.774798
N 0.152809 0.581899 0.333294
C -3.539259 1.061106 -0.635711
C -2.008062 1.044199 -0.812763
C -1.245047 1.043982 0.518908
C -4.064039 -0.131287 0.197033
C -4.013222 2.377316 -0.009418
C 0.501331 -0.758670 -0.054832
C 1.306212 1.435257 0.474030
C 2.002311 -0.760631 -0.130860
C 2.480200 0.544150 0.179650
C -3.627274 -1.469502 -0.372742
C 2.870359 -1.785249 -0.437340
C 3.827852 0.828880 0.183489
C 4.256574 -1.495599 -0.434674
C 4.722961 -0.222039 -0.132614
H -3.985513 0.985728 -1.661453
H -1.696651 1.915346 -1.421770
H -1.725151 0.152070 -1.410231
H -1.738781 0.369223 1.257773
H -1.220442 2.066726 0.961667
H -3.726041 -0.038858 1.250059
H -5.171889 -0.072462 0.242496
H -3.651906 3.242403 -0.577400
H -5.107284 2.438790 0.014259
H -3.659657 2.495964 1.020560
H -2.533506 -1.637297 -0.271877
H -3.904108 -1.590602 -1.432170
H 2.508346 -2.786827 -0.673981
H 4.198607 1.826810 0.421308
H 4.961876 -2.293053 -0.674819
H 5.795028 -0.017917 -0.135631


%chk=000231564-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231564

0 1
Br -4.900928 -2.935659 0.473002
O -0.196521 -1.796551 -0.045402
O 1.214011 2.639663 0.657006
N 0.183085 0.514858 0.355963
C -3.535249 1.098558 -0.624662
C -1.994767 0.967847 -0.784913
C -1.220297 0.908007 0.555305
C -4.191887 -0.093135 0.141647
C -3.939265 2.435478 0.044570
C 0.587344 -0.817739 0.063718
C 1.293404 1.410134 0.415474
C 2.078944 -0.769673 -0.069878
C 2.502085 0.566509 0.139392
C -3.832357 -1.460480 -0.446891
C 2.996658 -1.792798 -0.349087
C 3.856769 0.923248 0.076164
C 4.370842 -1.441856 -0.416087
C 4.794208 -0.105015 -0.206847
H -3.954543 1.097432 -1.653566
H -1.619703 1.826568 -1.374702
H -1.761500 0.054788 -1.363688
H -1.680124 0.169360 1.235863
H -1.209442 1.891561 1.054909
H -3.908515 -0.066185 1.211269
H -5.289553 0.041829 0.109664
H -3.498039 3.296522 -0.490669
H -5.037476 2.561500 0.045292
H -3.600854 2.481365 1.096610
H -2.782661 -1.752689 -0.289740
H -4.105649 -1.551286 -1.510439
H 2.658515 -2.821547 -0.507705
H 4.172089 1.958308 0.240607
H 5.116943 -2.213928 -0.632128
H 5.861132 0.135507 -0.264254


