%chk=000280498.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000280498

0 1
Br 4.133091 -2.764353 0.010411
O 0.881261 3.359266 0.001190
N -0.919890 1.998108 -0.007519
N -4.910487 -0.756321 -0.082437
C -0.698242 -0.434690 -0.007963
C 0.747727 -0.296192 -0.002334
C -1.520916 0.725912 -0.010447
C 1.327500 0.992765 0.001282
C 0.493807 2.205308 -0.001999
C -1.343296 -1.694619 -0.012473
C -2.925278 0.633949 -0.010355
C 1.610525 -1.420998 0.000319
C 2.728783 1.153430 0.007271
C -3.524559 -0.636537 -0.019468
C -2.717368 -1.812985 -0.014839
C 2.981458 -1.231647 0.006450
C 3.565045 0.045689 0.010098
H -1.514573 2.832590 -0.012845
H -0.726053 -2.599311 -0.012312
H -3.534225 1.531290 -0.016367
H 1.183675 -2.425485 -0.002995
H 3.143557 2.167827 0.009566
H -3.185348 -2.792568 -0.024831
H 4.648154 0.166384 0.014789
H -5.490902 0.047597 0.083426
H -5.344345 -1.646009 0.092980


%chk=000280498-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000280498

0 1
Br 4.224967 -2.782504 -0.000506
O 0.917856 3.407492 -0.000557
N -0.901318 1.967359 0.000141
N -4.960721 -0.736357 0.000146
C -0.698674 -0.468323 0.000149
C 0.758856 -0.313456 0.000167
C -1.519420 0.706401 0.000060
C 1.333461 1.000424 0.000377
C 0.480406 2.212188 0.001068
C -1.371567 -1.721911 0.000170
C -2.930356 0.624878 -0.000132
C 1.648265 -1.430045 -0.000013
C 2.739385 1.178022 0.000198
C -3.573502 -0.637991 -0.000299
C -2.766121 -1.820726 -0.000007
C 3.032489 -1.219444 -0.000152
C 3.608113 0.075108 -0.000065
H -1.485104 2.809259 -0.000196
H -0.789379 -2.648860 0.000282
H -3.527444 1.545415 -0.000231
H 1.261936 -2.451801 -0.000131
H 3.123278 2.203306 0.000414
H -3.247536 -2.805087 -0.000197
H 4.693014 0.205963 -0.000116
H -5.546289 0.093365 -0.001330
H -5.415492 -1.644275 -0.000640


