%chk=000288059.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000288059

0 1
Br 3.004734 2.973697 -0.837367
O 2.258538 -2.211730 -1.951586
O -1.429441 2.200472 -1.361325
O -1.001330 -2.276664 -0.253096
O 0.239839 1.668194 1.732224
N -0.904208 -0.042176 -0.979379
N 3.393429 -1.827149 -0.008852
C 0.429069 -0.052933 -1.627647
C 1.538798 -0.328537 -0.650466
C 1.820878 0.428159 0.452585
C -2.989968 0.673291 -0.217068
C -2.849356 -0.699579 0.131477
C 2.351054 -1.503399 -0.963794
C -1.743920 1.121005 -0.919545
C -1.509494 -1.194248 -0.341402
C 3.635218 -1.048059 1.120540
C 2.870371 0.078690 1.345532
C -4.129116 1.379808 0.101947
C -3.848428 -1.371554 0.800601
C 1.024879 1.658141 0.814089
C 4.196714 -3.047718 -0.269091
C 4.723039 -1.452548 2.058780
C -5.158332 0.691012 0.788141
C -5.021469 -0.649320 1.128632
C 1.244815 2.893742 -0.024477
H 0.424132 -0.837623 -2.431946
H 0.590545 0.930671 -2.134233
H 3.055336 0.702261 2.217452
H -4.238302 2.432840 -0.160093
H -3.744294 -2.422784 1.072294
H 3.848036 -3.529559 -1.210657
H 4.077843 -3.783103 0.542448
H 5.262786 -2.802990 -0.396503
H 5.705889 -1.484088 1.563445
H 4.539685 -2.447069 2.495506
H 4.818747 -0.752445 2.903832
H -6.069035 1.231237 1.051524
H -5.824848 -1.162640 1.659495
H 0.478075 2.939075 -0.840506
H 1.096589 3.811624 0.579289


%chk=000288059-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000288059

0 1
Br 2.749924 3.304881 -1.223551
O 2.167742 -2.112832 -2.012122
O -1.615254 2.226635 -1.589456
O -0.762750 -2.106991 0.053243
O 1.051198 2.045619 2.144919
N -0.856781 0.079352 -0.895409
N 3.357896 -1.857855 -0.000085
C 0.467821 0.091056 -1.557615
C 1.616254 -0.217868 -0.611469
C 1.965174 0.528044 0.517711
C -3.043607 0.637285 -0.311080
C -2.783422 -0.659208 0.195466
C 2.358552 -1.437211 -0.947520
C -1.816348 1.123615 -1.012548
C -1.384837 -1.044254 -0.179607
C 3.656628 -1.137980 1.154079
C 2.978211 0.046409 1.412926
C -4.282357 1.266185 -0.118139
C -3.755134 -1.372375 0.911977
C 1.338320 1.840459 0.931182
C 4.067200 -3.118930 -0.315578
C 4.717215 -1.672099 2.086999
C -5.273686 0.551624 0.604016
C -5.014005 -0.746798 1.111122
C 1.122948 2.984648 -0.056811
H 0.485507 -0.684228 -2.344953
H 0.566853 1.075962 -2.046724
H 3.210884 0.616065 2.313933
H -4.470876 2.269082 -0.513351
H -3.543462 -2.373607 1.299740
H 3.609860 -3.522950 -1.231006
H 3.956821 -3.843052 0.508856
H 5.139851 -2.932104 -0.498344
H 5.690170 -1.798994 1.576701
H 4.435600 -2.656327 2.505950
H 4.858935 -0.973896 2.926102
H -6.254606 1.007978 0.773879
H -5.798488 -1.273215 1.665128
H 0.286810 2.820159 -0.757480
H 0.966736 3.913720 0.509719


