%chk=000187227.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187227

0 1
Br -5.282078 -1.800431 -0.322995
O -2.274610 -2.034859 0.858339
C -1.461767 0.100912 -0.010247
C -2.531453 -0.974746 -0.070555
C -3.947783 -0.442156 0.225699
C -4.215351 0.866946 -0.500602
C -1.806460 1.447205 0.018783
C -3.233032 1.926032 0.011086
C -0.082488 -0.280602 -0.034065
C 0.922865 0.715488 0.017320
C -0.792326 2.439663 0.071049
C 0.536134 2.081264 0.076423
C 2.330253 0.336719 0.001592
C 0.324424 -1.669006 -0.121399
C 2.679773 -1.030903 -0.080685
C 1.632908 -2.025306 -0.145837
C 3.372627 1.301675 0.065662
C 4.048384 -1.412367 -0.098322
C 4.697878 0.914739 0.048043
C 5.041077 -0.455393 -0.034915
H -2.487321 -1.502230 -1.058367
H -4.094993 -0.333421 1.324002
H -5.259591 1.205082 -0.344503
H -4.104875 0.738379 -1.597713
H -3.327108 2.840688 -0.612071
H -3.511719 2.241001 1.040480
H -1.076358 3.490567 0.105567
H 1.310446 2.850965 0.120225
H -0.456417 -2.437747 -0.159719
H -2.048391 -1.683971 1.745530
H 1.927910 -3.072927 -0.214619
H 3.114091 2.359565 0.129416
H 4.302060 -2.469704 -0.162451
H 5.491225 1.659002 0.097580
H 6.091164 -0.742222 -0.048031


%chk=000187227-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187227

0 1
Br -5.296500 -1.863528 -0.562185
O -2.336433 -1.993185 1.121730
C -1.479240 0.108507 0.065005
C -2.551520 -0.996752 0.045303
C -3.992257 -0.449570 0.131229
C -4.193966 0.864189 -0.622838
C -1.837035 1.473445 0.098358
C -3.290460 1.925509 0.045849
C -0.083752 -0.273105 0.015518
C 0.943785 0.741393 0.054611
C -0.810208 2.461222 0.141489
C 0.539656 2.108528 0.133249
C 2.358085 0.356693 0.000499
C 0.315695 -1.662660 -0.101683
C 2.702086 -1.038505 -0.112730
C 1.647887 -2.022458 -0.168207
C 3.426114 1.306311 0.051584
C 4.074832 -1.432785 -0.169669
C 4.766588 0.900715 -0.004860
C 5.098452 -0.480468 -0.116834
H -2.446326 -1.597868 -0.875627
H -4.292952 -0.344498 1.188691
H -5.253941 1.169328 -0.581832
H -3.918586 0.739897 -1.686639
H -3.361049 2.880083 -0.507526
H -3.665259 2.133141 1.070334
H -1.096050 3.519515 0.171654
H 1.290046 2.903308 0.166213
H -0.455265 -2.435555 -0.111936
H -2.133837 -1.509646 1.963452
H 1.926349 -3.078987 -0.260867
H 3.208325 2.375035 0.138200
H 4.313229 -2.499494 -0.256183
H 5.564456 1.650292 0.037417
H 6.148148 -0.790146 -0.161070


