%chk=000148481.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000148481

0 1
Br 3.916075 -2.353843 -1.405461
Br -3.916150 2.353850 -1.405260
N 4.964403 0.082208 -0.030877
N -4.964414 -0.082188 -0.030716
C 0.737737 0.021744 -0.098884
C -0.737766 -0.021750 -0.098859
C 2.803856 1.186250 0.498266
C -2.803864 -1.186278 0.498317
C 1.411742 1.112633 0.482237
C -1.411752 -1.112662 0.482242
C 1.473499 -1.022295 -0.673059
C -1.473547 1.022307 -0.672972
C 3.558539 0.129329 -0.088873
C -3.558563 -0.129327 -0.088756
C 2.863378 -0.953820 -0.660382
C -2.863423 0.953829 -0.660250
C 3.490267 2.352285 1.131204
C -3.490257 -2.352339 1.131238
H 0.824423 1.913560 0.935394
H -0.824415 -1.913607 0.935348
H 0.962672 -1.872277 -1.127668
H -0.962740 1.872304 -1.127574
H 4.103669 2.906923 0.408190
H 2.777969 3.073018 1.557358
H 4.141458 2.030995 1.958473
H -4.103744 -2.906911 0.408244
H -2.777942 -3.073125 1.557275
H -4.141360 -2.031084 1.958589
H 5.430822 0.958678 0.157455
H 5.448810 -0.452741 -0.741161
H -5.430856 -0.958665 0.157512
H -5.448823 0.452897 -0.740891


%chk=000148481-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000148481

0 1
Br 3.918712 -2.704684 -0.787904
Br -3.918762 2.704715 -0.787659
N 5.023751 0.151172 0.003189
N -5.023774 -0.151172 0.003357
C 0.743067 0.022157 0.002679
C -0.743090 -0.022159 0.002704
C 2.862934 1.279683 0.331357
C -2.862946 -1.279697 0.331404
C 1.457311 1.209342 0.325892
C -1.457323 -1.209357 0.325893
C 1.508946 -1.129408 -0.323071
C -1.508980 1.129420 -0.322973
C 3.633839 0.112379 0.002875
C -3.633862 -0.112379 0.002995
C 2.909509 -1.070366 -0.314438
C -2.909542 1.070378 -0.314294
C 3.584405 2.564191 0.694973
C -3.584406 -2.564220 0.694993
H 0.896941 2.106138 0.615407
H -0.896944 -2.106165 0.615352
H 1.012239 -2.058608 -0.616202
H -1.012283 2.058632 -0.616082
H 4.218434 2.931743 -0.137571
H 2.864935 3.364013 0.935316
H 4.239365 2.433504 1.580299
H -4.218462 -2.931738 -0.137545
H -2.864928 -3.364051 0.935280
H -4.239336 -2.433567 1.580345
H 5.520579 1.008765 0.219069
H 5.556380 -0.683569 -0.229690
H -5.520594 -1.008774 0.219216
H -5.556411 0.683578 -0.229469


