%chk=000190579.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190579

0 1
Br -3.314088 -2.760833 -1.244512
O -2.148032 -1.179082 1.367874
O -0.870073 1.438559 -0.282979
O -0.471207 -2.935997 -2.721516
O -3.927461 0.220286 1.397357
O -0.547803 2.393367 1.739436
N 4.428871 0.312654 -0.695754
C -1.769640 -0.716846 0.040807
C -0.485137 0.121583 0.237189
C -1.563279 -1.994422 -0.765670
C -0.740609 -1.707613 -2.036209
C 0.723938 -0.290490 -0.561723
C 0.609120 -1.141553 -1.643981
C 2.014739 0.221311 -0.196119
C 1.750985 -1.512849 -2.416694
C 3.146209 -0.148253 -0.980211
C 2.990913 -1.027406 -2.102056
C 2.247180 1.082903 0.924307
C -3.290181 -0.638859 1.952239
C -0.914472 2.508971 0.593237
C 3.514952 1.527039 1.197685
C 4.595082 1.116402 0.349112
C -3.492340 -1.293950 3.268407
C -1.445892 3.693146 -0.125899
H -2.582604 -0.062041 -0.377581
H -0.253724 0.201443 1.332928
H -1.057438 -2.777422 -0.145168
H -1.274793 -1.014487 -2.730651
H 1.603475 -2.202953 -3.254531
H 3.880412 -1.292447 -2.678585
H -1.297989 -3.317976 -3.094918
H 1.405018 1.382463 1.559774
H 3.719685 2.181537 2.042351
H 5.615218 1.467176 0.552848
H -3.451945 -0.553151 4.084515
H -2.733111 -2.065905 3.479743
H -4.482364 -1.777397 3.315849
H -2.492442 3.886636 0.169133
H -1.437038 3.562741 -1.221147
H -0.865633 4.597814 0.116610


%chk=000190579-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000190579

0 1
Br -3.157730 -3.120167 -1.137285
O -2.279207 -1.164426 1.303261
O -0.781939 1.411213 -0.118135
O -0.357038 -3.160287 -2.770112
O -3.741699 0.642976 1.052490
O -0.822054 1.946776 2.157706
N 4.506406 0.433074 -0.926196
C -1.672761 -0.862680 -0.017573
C -0.391721 -0.010857 0.210161
C -1.385352 -2.183969 -0.719848
C -0.629054 -1.927820 -2.038705
C 0.814127 -0.372702 -0.633318
C 0.709985 -1.269688 -1.709334
C 2.092880 0.220871 -0.322927
C 1.852784 -1.592431 -2.507181
C 3.240485 -0.097831 -1.149276
C 3.088497 -1.009163 -2.242002
C 2.313848 1.113061 0.780163
C -3.324242 -0.318053 1.732966
C -1.055891 2.263518 0.968462
C 3.590629 1.632482 1.000325
C 4.656519 1.271247 0.116754
C -3.799854 -0.735233 3.101025
C -1.670536 3.549997 0.482961
H -2.386066 -0.256826 -0.607975
H -0.153483 -0.042544 1.290073
H -0.850378 -2.907308 -0.084017
H -1.248135 -1.244474 -2.663712
H 1.727508 -2.314155 -3.317215
H 3.975083 -1.232480 -2.842550
H -1.223775 -3.614273 -2.942476
H 1.495394 1.385148 1.453685
H 3.785915 2.309734 1.837427
H 5.663922 1.676488 0.270874
H -3.100690 -0.338397 3.859886
H -3.813944 -1.832453 3.194721
H -4.799280 -0.317330 3.290537
H -2.756358 3.382181 0.356754
H -1.255513 3.845709 -0.493106
H -1.520781 4.345170 1.228210


