%chk=000187191.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187191

0 1
Br -2.480733 3.731138 -1.045860
O 2.746538 1.025870 -0.424843
O -1.357263 -4.369549 0.323130
O 0.598721 0.321878 0.007190
N -0.181643 -2.461314 0.754626
N 2.158982 -1.022824 -1.090399
C -3.122939 -1.402619 0.576156
C -2.423430 -0.080665 0.910871
C 2.526959 2.418026 0.092531
C -2.572846 -2.580528 1.387778
C -2.869359 1.052137 -0.026171
C -1.355460 -3.224813 0.750282
C 1.454085 3.076200 -0.757188
C 3.918424 2.996879 -0.141173
C 2.159305 2.321268 1.564842
C 1.022526 -2.958752 0.055772
C 1.276303 -2.199122 -1.264140
C -1.965611 2.258721 0.164777
C 1.716897 0.125843 -0.451564
H -3.036845 -1.620221 -0.507952
H -4.210644 -1.306984 0.769965
H -1.316061 -0.203713 0.831262
H -2.619293 0.197721 1.963473
H -3.354961 -3.367566 1.479089
H -2.345037 -2.276128 2.428905
H -2.831880 0.709949 -1.081606
H -3.928342 1.316379 0.165671
H 1.686703 3.021053 -1.827502
H 1.323354 4.133910 -0.502839
H 0.469818 2.585438 -0.621326
H 3.973893 4.039331 0.190519
H 4.686311 2.427868 0.398646
H 4.192381 2.965476 -1.203890
H 2.903242 1.749123 2.132029
H 2.079864 3.312054 2.025111
H 1.192064 1.813317 1.703390
H 0.898326 -4.051260 -0.156729
H 1.892607 -2.864914 0.743838
H 0.306655 -1.868172 -1.709984
H 1.752513 -2.875863 -2.008406
H -0.225037 -1.436230 0.888050
H -2.015214 2.663825 1.187850
H -0.900051 2.016787 -0.071701
H 3.138678 -1.110351 -1.346682


%chk=000187191-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187191

0 1
Br -7.751920 0.415118 -2.065240
O 3.925070 1.066503 -0.150617
O -1.751522 -3.047057 0.118531
O 1.635763 0.806870 0.414814
N -0.051888 -1.460010 0.267023
N 2.693477 -0.493139 -1.225159
C -3.606979 -1.090904 1.264844
C -3.931188 -0.349300 -0.052448
C 4.199033 2.159479 0.880757
C -2.097506 -1.105197 1.593910
C -5.453045 -0.343763 -0.352037
C -1.298246 -1.955443 0.594075
C 3.327766 3.389514 0.558756
C 5.691961 2.444488 0.644226
C 3.945580 1.603975 2.296060
C 0.845166 -2.166117 -0.655899
C 1.494377 -1.218569 -1.694198
C -5.749981 0.378942 -1.665881
C 2.661441 0.488852 -0.260841
H -3.951857 -2.139014 1.186095
H -4.158163 -0.619770 2.102750
H -3.390446 -0.843279 -0.884031
H -3.556985 0.694257 0.006460
H -1.950187 -1.553895 2.596865
H -1.692824 -0.075081 1.639945
H -5.821778 -1.385065 -0.407636
H -5.996025 0.149822 0.476386
H 3.498216 3.721881 -0.480597
H 3.601977 4.220072 1.234498
H 2.258580 3.162729 0.693172
H 6.034087 3.240539 1.329209
H 6.295724 1.539157 0.828107
H 5.865417 2.775688 -0.394043
H 4.533526 0.683795 2.461702
H 4.262666 2.352694 3.044748
H 2.877888 1.382619 2.449387
H 0.228308 -2.924634 -1.172129
H 1.643417 -2.705174 -0.106274
H 0.730254 -0.498143 -2.044178
H 1.817243 -1.817545 -2.563819
H 0.278581 -0.547306 0.614343
H -5.457602 1.440732 -1.646049
H -5.306740 -0.124874 -2.539016
H 3.591860 -0.655844 -1.680772


