%chk=000289297.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289297

0 1
Br 2.817443 1.513936 -1.912598
O -1.653018 0.576754 -1.438806
N -1.875076 -0.187657 0.703281
C -3.143502 -0.620151 0.030373
C 0.225812 1.093991 -0.013852
C -2.960701 -0.083232 -1.437590
C -1.121284 0.441147 -0.143987
C 0.227259 2.056425 1.197547
C -4.339733 0.033968 0.722184
C -3.244725 -2.145465 0.059905
C 1.321762 0.057405 0.114370
C 1.474517 2.930663 1.221679
C 2.499088 0.110777 -0.644562
C 1.187879 -0.988415 1.046684
C 3.506393 -0.850129 -0.506090
C 2.186203 -1.950832 1.194895
C 3.346892 -1.886130 0.416064
H 0.370734 1.707840 -0.950891
H -2.896547 -0.869017 -2.201198
H -3.682488 0.689896 -1.729751
H -0.680224 2.692327 1.158848
H 0.145529 1.473474 2.137890
H -5.286748 -0.262902 0.262024
H -4.377827 -0.254398 1.782398
H -4.276067 1.128552 0.701430
H -2.387086 -2.621125 -0.431663
H -3.252239 -2.512607 1.095857
H -4.158020 -2.500964 -0.426158
H 1.460487 3.614932 2.077543
H 2.390074 2.329170 1.296536
H 1.565752 3.538902 0.313217
H 0.283749 -1.047805 1.662434
H 4.413094 -0.795656 -1.110766
H 2.060686 -2.754497 1.920008
H 4.125533 -2.638877 0.528347


%chk=000289297-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000289297

0 1
Br 2.740906 1.519895 -2.142010
O -1.587020 0.457171 -1.554684
N -1.913532 -0.015240 0.704192
C -3.139240 -0.582591 0.017234
C 0.203508 1.169928 -0.009152
C -2.902766 -0.263228 -1.507805
C -1.143508 0.509162 -0.207011
C 0.191273 2.055581 1.276085
C -4.392158 0.128427 0.571809
C -3.196539 -2.102300 0.284428
C 1.311200 0.107117 0.043229
C 1.497637 2.847851 1.480295
C 2.467267 0.119097 -0.775153
C 1.209462 -0.945413 0.995256
C 3.481204 -0.858319 -0.665552
C 2.209308 -1.929537 1.124315
C 3.351323 -1.887398 0.292077
H 0.374611 1.818521 -0.886115
H -2.803937 -1.167414 -2.131772
H -3.662150 0.413788 -1.933826
H -0.664595 2.753733 1.200103
H -0.012795 1.408923 2.149249
H -5.310127 -0.270821 0.101167
H -4.462906 -0.025734 1.662470
H -4.344194 1.215724 0.382827
H -2.288287 -2.602950 -0.096154
H -3.265400 -2.294551 1.369167
H -4.079232 -2.552587 -0.207183
H 1.433288 3.471021 2.390736
H 2.366176 2.174105 1.592342
H 1.701076 3.517188 0.623938
H 0.311653 -0.982071 1.623671
H 4.357396 -0.814108 -1.318798
H 2.098124 -2.726746 1.867138
H 4.136578 -2.645927 0.379089


