%chk=000235273.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235273

0 1
Br -1.328539 2.818083 -0.512058
O 2.648508 -2.879504 0.501948
N -1.979228 0.185524 -0.265583
C 2.183608 0.601015 -0.067839
C 3.656401 0.494928 -0.010324
C 1.626436 -0.701254 0.119424
C 4.003344 -0.874613 0.214537
C 2.749493 -1.696933 0.310661
C 1.366993 1.706442 -0.264691
C 0.264730 -0.926838 0.113473
C 4.640165 1.457605 -0.135393
C 5.321751 -1.269357 0.311807
C -0.569474 0.197452 -0.087737
C -0.011958 1.473620 -0.271573
C 5.988866 1.048805 -0.035042
C 6.325070 -0.283082 0.183496
C -2.799102 -0.291192 0.617945
C -4.255168 -0.259698 0.353849
C -5.112899 -0.982596 1.202570
C -4.791254 0.477554 -0.714542
C -6.490470 -0.967422 0.978513
C -6.172016 0.490035 -0.930781
C -7.021676 -0.231046 -0.087096
H 1.772749 2.706259 -0.411101
H -0.150729 -1.925911 0.243954
H 4.394833 2.502803 -0.307230
H 5.584794 -2.314090 0.482694
H 6.775147 1.798772 -0.132426
H 7.371376 -0.577472 0.257269
H -2.510420 -0.719360 1.593498
H -4.707640 -1.557971 2.033546
H -4.121996 1.037773 -1.374280
H -7.153432 -1.529590 1.634312
H -6.584368 1.062599 -1.760490
H -8.097197 -0.220943 -0.258010


%chk=000235273-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000235273

0 1
Br -0.945813 3.485141 -0.644401
O 2.329338 -2.788596 0.550141
N -2.035893 0.590476 -0.253169
C 2.219463 0.761739 -0.077726
C 3.682095 0.513728 -0.002259
C 1.536573 -0.474175 0.126954
C 3.888911 -0.877931 0.248538
C 2.553208 -1.564728 0.339137
C 1.483055 1.934708 -0.314295
C 0.143146 -0.558653 0.103041
C 4.783447 1.377676 -0.130426
C 5.176355 -1.419850 0.374987
C -0.634484 0.621639 -0.132334
C 0.071724 1.847269 -0.344526
C 6.089601 0.832082 -0.004485
C 6.288471 -0.547861 0.244869
C -2.786364 -0.154579 0.521800
C -4.237168 -0.281464 0.320803
C -4.991240 -1.113227 1.193896
C -4.901436 0.411168 -0.731445
C -6.383808 -1.254865 1.019010
C -6.291082 0.269017 -0.901973
C -7.036344 -0.564218 -0.029007
H 1.970844 2.900250 -0.474892
H -0.354259 -1.526667 0.228555
H 4.651229 2.447980 -0.322343
H 5.308061 -2.489710 0.567287
H 6.959400 1.491274 -0.102063
H 7.306708 -0.940304 0.336249
H -2.363838 -0.712427 1.385063
H -4.481826 -1.647387 2.005971
H -4.304226 1.049791 -1.390410
H -6.958755 -1.898062 1.693793
H -6.800305 0.803728 -1.711181
H -8.118091 -0.672562 -0.165862


