%chk=000220685.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220685

0 1
Br 5.913851 0.468000 0.821893
O 4.273796 1.906421 -1.830553
O -2.489758 -2.499934 0.638729
O 2.926489 2.111284 -0.050182
N -0.990130 -1.348019 -0.638291
C 2.189490 -1.180304 -0.532842
C 1.237649 -2.157588 0.166116
C 3.364253 -0.809321 0.384232
C -0.014033 -2.461507 -0.672513
C 4.354679 0.109404 -0.324602
C -2.169863 -1.451110 0.104298
C 3.746687 1.457173 -0.642484
C -3.004951 -0.206079 0.126003
C -4.336996 -0.284061 -0.301176
C -2.481075 1.003683 0.599390
C -5.141110 0.858913 -0.270479
C -3.291922 2.141714 0.632159
C -4.618907 2.070507 0.194226
H 2.562521 -1.627867 -1.474775
H 1.640258 -0.262584 -0.824006
H 1.763419 -3.108893 0.383585
H 0.933780 -1.758716 1.156057
H 2.981676 -0.319809 1.307722
H 3.884342 -1.728769 0.727100
H -0.511984 -3.384934 -0.280536
H 0.254838 -2.667059 -1.731858
H 4.760644 -0.364071 -1.254873
H -0.691323 -0.465084 -1.035691
H -4.742204 -1.237120 -0.645760
H -1.451904 1.058946 0.953665
H -6.176566 0.802784 -0.603390
H -2.889747 3.083750 1.002419
H -5.248004 2.959656 0.219782
H 3.947106 2.813192 -2.082363


%chk=000220685-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000220685

0 1
Br 5.993356 0.351448 0.971955
O 4.388729 2.205955 -1.419787
O -2.537582 -2.510041 0.605364
O 2.812934 2.002928 0.278969
N -0.969233 -1.396035 -0.708456
C 2.150413 -1.165711 -0.505341
C 1.255090 -2.287075 0.070115
C 3.378248 -0.890216 0.402162
C -0.031957 -2.529443 -0.754154
C 4.340123 0.119599 -0.225157
C -2.158372 -1.452080 0.009441
C 3.752156 1.515170 -0.385654
C -2.983714 -0.189517 0.021468
C -4.377845 -0.317673 0.247186
C -2.422663 1.104606 -0.142231
C -5.203764 0.825010 0.277117
C -3.249640 2.249128 -0.104506
C -4.642669 2.111870 0.096557
H 2.486279 -1.452435 -1.524217
H 1.562632 -0.231741 -0.601349
H 1.829487 -3.234826 0.105816
H 0.967787 -2.044056 1.111101
H 3.034683 -0.509653 1.380659
H 3.927624 -1.832600 0.582719
H -0.580543 -3.397673 -0.349608
H 0.228063 -2.747375 -1.809202
H 4.770508 -0.220010 -1.179831
H -0.763190 -0.560625 -1.256262
H -4.785738 -1.321445 0.404985
H -1.338740 1.236030 -0.250309
H -6.280788 0.715589 0.444972
H -2.806882 3.244829 -0.217465
H -5.282982 3.000552 0.125081
H 4.023192 3.130116 -1.481136


