%chk=000208818.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208818

0 1
Br 5.932164 -2.691691 1.551735
O -6.435796 -1.331365 -0.155749
O 1.067490 3.045386 2.473977
O -1.254224 2.839071 0.971608
N -3.674017 -0.626692 -0.320860
N -0.328996 1.114650 -0.222281
N 0.732195 0.307695 -0.535314
C 1.166741 2.663673 1.101206
C -2.301054 -0.359214 0.212771
C -1.645417 0.647808 -0.756948
C 2.168924 1.500221 1.119993
C -4.092045 -2.044496 -0.067372
C -4.676585 0.315411 0.278473
C -0.256194 2.225422 0.647018
C 1.888236 0.479970 0.052163
C -5.477135 -2.261213 -0.699340
C -6.045374 0.042204 -0.363333
C 1.602231 3.842311 0.240906
C 3.001342 -0.412092 -0.355256
C 3.795478 -1.028570 0.626167
C 3.263087 -0.637959 -1.716174
C 4.844926 -1.853125 0.221011
C 4.320480 -1.469274 -2.095894
C 5.122971 -2.082768 -1.128645
H -1.697848 -1.292510 0.236383
H -2.296930 0.040139 1.249906
H -2.291972 1.545782 -0.895696
H -1.498375 0.181998 -1.757618
H 2.129880 1.015374 2.127149
H 3.205673 1.891691 1.041978
H -4.127976 -2.299868 1.013390
H -3.351661 -2.720295 -0.546177
H -4.354990 1.357344 0.063471
H -4.753432 0.220302 1.383422
H -5.447387 -2.145308 -1.797221
H -5.912261 -3.238070 -0.426023
H -6.859051 0.597734 0.134439
H -6.040427 0.253779 -1.447006
H 2.493962 4.324127 0.666566
H 1.847370 3.535774 -0.783484
H 0.825049 4.616558 0.176510
H 0.338371 3.702316 2.604998
H 3.587642 -0.871399 1.685425
H 2.632837 -0.170951 -2.475296
H 4.520741 -1.643598 -3.153617
H 5.948057 -2.730182 -1.428756


%chk=000208818-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208818

0 1
Br 6.715645 -1.735181 1.035205
O -6.382701 -1.506746 -0.422278
O 1.261041 3.413141 2.562608
O -1.184326 3.067798 1.356497
N -3.619623 -0.614847 -0.367638
N -0.369376 1.307128 0.044255
N 0.672165 0.466892 -0.398582
C 1.246563 2.748529 1.261766
C -2.279740 -0.305233 0.174243
C -1.696008 0.954806 -0.506321
C 2.100255 1.472097 1.382758
C -3.962605 -2.059706 -0.321059
C -4.703096 0.191375 0.255456
C -0.211131 2.378106 0.917421
C 1.848993 0.536405 0.211259
C -5.302710 -2.296028 -1.038002
C -6.035177 -0.076291 -0.463535
C 1.777806 3.704540 0.163649
C 2.894677 -0.399942 -0.273884
C 4.097417 -0.585515 0.463739
C 2.704512 -1.141826 -1.475440
C 5.065672 -1.493332 -0.004945
C 3.689181 -2.040330 -1.923545
C 4.888690 -2.229207 -1.192506
H -1.604285 -1.154926 -0.036021
H -2.292508 -0.154623 1.281607
H -2.350836 1.826196 -0.347902
H -1.585682 0.768045 -1.586902
H 1.833639 0.964606 2.332974
H 3.161438 1.760788 1.460430
H -4.042779 -2.433539 0.730559
H -3.167149 -2.635374 -0.830836
H -4.457740 1.266618 0.180555
H -4.814767 -0.057222 1.340851
H -5.201638 -2.020166 -2.110050
H -5.620768 -3.348246 -0.952412
H -6.868906 0.443707 0.036340
H -5.961592 0.261381 -1.519845
H 2.777505 4.063536 0.463589
H 1.858849 3.203949 -0.818595
H 1.110162 4.577613 0.061607
H 0.380196 3.872597 2.659601
H 4.274732 -0.044160 1.396411
H 1.779145 -0.994369 -2.038472
H 3.536346 -2.602441 -2.850867
H 5.657212 -2.924504 -1.541135


