%chk=000228393.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228393

0 1
Br 6.262976 -0.578932 0.002464
O 2.008646 1.398257 -0.000924
N 0.939405 -0.647959 -0.001357
C -2.774002 -0.857337 -0.000468
C -3.144267 0.507693 0.000480
C -0.428548 -0.210226 -0.000775
C -1.420986 -1.211612 -0.001099
C -2.142284 1.486045 0.000744
C -0.788875 1.143789 0.000110
C -3.815275 -1.930503 -0.000834
C -4.582789 0.914121 0.001175
C 3.389669 -0.583419 -0.002683
C 2.073612 0.185416 -0.001374
C 4.553208 0.393498 0.004083
H -1.144064 -2.262418 -0.001844
H -2.417129 2.541621 0.001470
H -0.024638 1.927228 0.000274
H 1.071376 -1.661012 -0.001855
H -3.387182 -2.940690 -0.001427
H -4.463282 -1.854809 0.884565
H -4.463575 -1.853892 -0.885941
H 3.444133 -1.257743 0.880270
H 3.446664 -1.248422 -0.892626
H -5.106324 0.528192 0.887229
H -4.711703 2.004339 0.002250
H -5.106668 0.529889 -0.885417
H 4.542307 1.043392 0.899486
H 4.545397 1.051891 -0.885175


%chk=000228393-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228393

0 1
Br 6.324078 -0.757145 -0.000315
O 2.100346 1.496069 -0.000812
N 0.948502 -0.555204 -0.000237
C -2.785815 -0.853920 -0.000373
C -3.196243 0.515297 0.000336
C -0.418183 -0.140578 -0.000061
C -1.407781 -1.158944 -0.000536
C -2.197052 1.517217 0.000804
C -0.818070 1.218289 0.000605
C -3.812780 -1.972024 -0.000996
C -4.667088 0.890163 0.000568
C 3.402825 -0.595290 -0.002641
C 2.097778 0.227953 -0.000723
C 4.615363 0.338779 0.003719
H -1.098180 -2.213678 -0.001090
H -2.504073 2.570031 0.001356
H -0.064490 2.006904 0.000975
H 1.095272 -1.568165 -0.000423
H -3.330570 -2.964334 -0.001474
H -4.472107 -1.916885 0.886491
H -4.471980 -1.915981 -0.888523
H 3.432518 -1.257588 0.883946
H 3.435002 -1.248385 -0.895971
H -5.192754 0.487672 0.888197
H -4.796774 1.985517 0.001428
H -5.192675 0.489078 -0.887748
H 4.664482 0.960946 0.907044
H 4.666250 0.970601 -0.892745


