%chk=000248780.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248780

0 1
Br 4.135049 -0.862270 -1.837660
Br 1.940234 -3.471305 -1.028171
O 0.918962 -1.766685 1.614492
O -4.101336 1.718488 -1.516941
O -2.035379 2.357223 -1.430560
N -2.921117 1.532474 -1.275850
C 2.840214 -0.787699 -0.340507
C 1.579146 -1.571715 -0.693581
C 2.505921 0.648588 -0.041569
C 0.585046 -1.560110 0.477487
C -0.832830 -1.291031 0.073545
C 2.681728 1.132881 1.262966
C 2.001033 1.497611 -1.039486
C -1.191746 -0.029333 -0.407193
C -1.794181 -2.303337 0.210743
C -2.529251 0.200376 -0.759750
C 2.341514 2.454243 1.568288
C 1.656040 2.813747 -0.726229
C -3.123847 -2.058010 -0.148890
C -3.501570 -0.805060 -0.634770
C 1.824536 3.293849 0.577651
H 3.371036 -1.272598 0.520090
H 1.118323 -1.181397 -1.633731
H 3.076593 0.481926 2.043898
H 1.894677 1.141331 -2.064678
H -0.452581 0.778899 -0.503841
H -1.501918 -3.283028 0.600461
H 2.479949 2.827662 2.582698
H 1.254178 3.469133 -1.500024
H -3.870426 -2.847830 -0.044828
H -4.540576 -0.596417 -0.916601
H 1.554579 4.321794 0.817940


%chk=000248780-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248780

0 1
Br 4.095711 -0.276243 -2.210507
Br 1.486120 -2.702968 -2.168153
O 0.913514 -1.598694 1.143095
O -4.869870 -0.155876 -2.928204
O -2.783761 -0.066817 -3.846507
N -3.586371 -0.256548 -2.854309
C 2.804914 -0.501474 -0.627791
C 1.424812 -0.936289 -1.140668
C 2.728967 0.793698 0.155206
C 0.455549 -1.231450 0.024944
C -1.024146 -1.075979 -0.189435
C 3.201097 0.820006 1.491703
C 2.175239 1.974039 -0.407947
C -1.593461 -0.742620 -1.442067
C -1.875449 -1.273200 0.933873
C -2.992082 -0.610653 -1.535835
C 3.118125 2.004649 2.255334
C 2.090398 3.156422 0.356686
C -3.272534 -1.136279 0.812928
C -3.849235 -0.800474 -0.430919
C 2.560495 3.175275 1.691322
H 3.260870 -1.305421 -0.032845
H 1.024004 -0.218673 -1.871216
H 3.619670 -0.090333 1.934875
H 1.848149 1.981625 -1.454601
H -0.998346 -0.606014 -2.348702
H -1.410530 -1.534168 1.890027
H 3.486715 2.013440 3.286708
H 1.668705 4.064120 -0.088535
H -3.915149 -1.289982 1.685070
H -4.928676 -0.686031 -0.560932
H 2.498554 4.095313 2.282801


