%chk=000295812.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000295812

0 1
Br 1.892484 -2.205483 1.812995
O -3.555998 -0.944929 -0.017653
O -1.600722 -2.016231 -0.374076
O 0.014947 3.979438 0.770122
N 0.656907 -0.556904 -0.194896
N 0.318855 1.776079 0.299325
N -1.939331 2.680847 0.637531
C -0.183891 0.504054 0.067270
C -1.597007 0.327521 0.121973
C 2.080521 -0.442177 -0.352252
C -2.411789 1.464107 0.418742
C 2.862734 -1.210837 0.530202
C 2.690270 0.347814 -1.333715
C -2.189751 -0.972795 -0.113379
C -0.565430 2.940647 0.598444
C 4.250471 -1.210072 0.437513
C 4.087516 0.353816 -1.418516
C 4.860517 -0.417141 -0.544562
C -4.255117 -2.225320 -0.240392
C -5.713226 -1.865023 -0.066562
H 0.224889 -1.514091 -0.327262
H 1.331875 1.947545 0.308783
H -3.509461 1.331408 0.469166
H 2.090469 0.934701 -2.030401
H 4.854876 -1.811763 1.119527
H 4.575554 0.965652 -2.179944
H -3.998847 -2.571252 -1.256441
H -3.880369 -2.943175 0.509302
H 5.948545 -0.404091 -0.625011
H -6.357490 -2.741775 -0.206535
H -5.911409 -1.457256 0.934784
H -6.027793 -1.096716 -0.786879


%chk=000295812-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000295812

0 1
Br 2.078710 -2.750910 1.609070
O -3.593189 -0.906989 -0.026300
O -1.534799 -1.995319 -0.119393
O 0.056734 4.142122 0.564454
N 0.647588 -0.493984 -0.071854
N 0.285814 1.851589 0.254855
N -1.927694 2.855322 0.423276
C -0.195924 0.575266 0.086269
C -1.618349 0.416866 0.111278
C 2.061342 -0.458552 -0.228933
C -2.399311 1.608449 0.280441
C 2.884898 -1.415091 0.427613
C 2.687149 0.479785 -1.097264
C -2.207973 -0.912182 -0.022076
C -0.537258 3.044145 0.426450
C 4.282252 -1.423567 0.247069
C 4.086426 0.487334 -1.265493
C 4.888102 -0.461844 -0.592555
C -4.261858 -2.242837 -0.139583
C -5.763200 -1.979828 -0.125520
H 0.130974 -1.406551 -0.066160
H 1.295739 2.024556 0.300553
H -3.489450 1.500005 0.293474
H 2.065716 1.171652 -1.675708
H 4.890617 -2.169913 0.765707
H 4.544532 1.220859 -1.936417
H -3.920438 -2.720440 -1.075251
H -3.929592 -2.866974 0.709207
H 5.974660 -0.465142 -0.722416
H -6.308274 -2.937699 -0.207260
H -6.069658 -1.485430 0.811928
H -6.060487 -1.338102 -0.972259


