%chk=000298009.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298009

0 1
Br -1.330703 3.220860 0.271943
O 1.670330 0.761363 1.055957
O 2.401965 1.561736 -2.014384
O 2.942183 -1.739565 -1.103139
O 4.652564 1.066150 1.064193
N -0.366568 0.620938 -0.099409
N -0.040363 -1.858732 -0.326300
N -2.097856 -3.148066 -0.059530
N -5.046098 1.373545 0.775891
C 1.041166 1.104054 -0.174737
C 1.840304 0.441288 -1.327165
C 2.943546 -0.408573 -0.637102
C 2.641784 -0.320714 0.878247
C 3.847722 0.090822 1.730451
C -0.786715 -0.729394 -0.106850
C -1.509620 1.393828 0.177357
C -2.209547 -0.767959 0.136049
C -2.640238 0.595487 0.311037
C -2.828309 -2.034728 0.149793
C -0.743638 -3.019142 -0.289100
C -3.962622 1.027122 0.566853
H 1.073784 2.224155 -0.230521
H 1.228241 -0.160453 -2.032223
H 3.972990 -0.043408 -0.884094
H 2.155799 -1.244000 1.262078
H 4.546614 -0.757672 1.874812
H 3.519458 0.486208 2.710848
H 2.924454 1.258248 -2.791729
H 2.070238 -2.183375 -0.928245
H 4.137501 1.896708 0.942390
H -3.906319 -2.153403 0.327980
H -0.185647 -3.956525 -0.458353


%chk=000298009-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000298009

0 1
Br -1.388747 3.224691 0.268404
O 1.661587 0.478886 1.237499
O 2.685792 1.785646 -1.440111
O 2.421755 -1.916010 -1.017625
O 4.644001 1.368500 0.634390
N -0.388656 0.491589 -0.046945
N -0.142161 -1.961310 -0.249261
N -2.226925 -3.223544 -0.103067
N -5.138750 1.454785 0.511234
C 1.027718 0.949536 0.017104
C 1.945100 0.537524 -1.161755
C 2.866959 -0.603191 -0.612535
C 2.862242 -0.384818 0.928816
C 4.114518 0.306951 1.491108
C -0.864221 -0.826792 -0.086237
C -1.513104 1.324345 0.143343
C -2.290974 -0.814204 0.066087
C -2.694374 0.570370 0.206897
C -2.941287 -2.068969 0.050056
C -0.871918 -3.118040 -0.248269
C -4.016242 1.064380 0.373007
H 0.975237 2.050890 0.044741
H 1.398858 0.196356 -2.059970
H 3.888415 -0.488022 -1.013026
H 2.695300 -1.344801 1.449435
H 4.930564 -0.432555 1.573549
H 3.878290 0.690858 2.504651
H 3.424094 1.597150 -2.073136
H 1.455456 -2.033886 -0.695809
H 3.897618 1.936831 0.301058
H -4.025974 -2.168104 0.159348
H -0.313772 -4.048238 -0.379986


