%chk=000186047.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186047

0 1
Br 1.239995 2.520249 -1.154467
O -2.370727 0.751363 0.678942
O 2.917531 -0.045666 -1.279490
O 2.832009 0.776354 0.725377
N 2.348905 0.200443 -0.233197
C -0.104786 0.461286 0.223364
C -1.371042 -0.153747 0.410646
C 0.977786 -0.382362 -0.045830
C 0.044317 1.939585 0.290465
C -1.531103 -1.542829 0.330193
C 0.841269 -1.771893 -0.143033
C -0.419014 -2.342136 0.050628
C -3.723158 0.247577 0.821131
H 0.508821 2.262343 1.246056
H -0.922324 2.471048 0.177882
H -2.504139 -2.005317 0.477000
H 1.704069 -2.397726 -0.377717
H -0.537858 -3.425097 -0.020683
H -3.790302 -0.421432 1.683787
H -4.049864 -0.235154 -0.104478
H -4.284085 1.175911 0.999126


%chk=000186047-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186047

0 1
Br -0.035738 2.836023 -1.446658
O -2.358800 0.791931 0.653348
O 3.228971 -0.610912 -0.888685
O 2.841842 1.067930 0.596133
N 2.453311 0.053626 -0.101298
C -0.024177 0.473794 0.299762
C -1.327593 -0.113982 0.408359
C 1.045742 -0.422637 0.030281
C 0.100966 1.960802 0.416218
C -1.528092 -1.508937 0.270352
C 0.864697 -1.814129 -0.132716
C -0.428716 -2.350046 -0.001864
C -3.733834 0.284525 0.734651
H 1.072957 2.293949 0.790909
H -0.744471 2.397873 0.959458
H -2.528162 -1.939948 0.364613
H 1.728820 -2.443098 -0.357043
H -0.584710 -3.427526 -0.112903
H -3.851192 -0.419616 1.580284
H -4.032989 -0.203710 -0.211731
H -4.352532 1.176888 0.904231


