%chk=000293670.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000293670

0 1
Br 7.001957 -0.123880 -1.123868
O -1.150295 -1.204251 0.468982
N -1.618640 1.175852 0.353593
C -2.957564 0.961334 -0.289771
C -3.048680 -0.449379 -0.940833
C -2.535174 -1.541955 0.009505
C -0.864022 0.176654 0.643240
C -4.045618 1.160003 0.798314
C -3.106270 2.055534 -1.372113
C 0.527055 0.351839 1.206257
C 1.629985 0.080078 0.148098
C -2.448675 -2.932110 -0.618726
C 3.050156 0.199274 0.746640
C 4.151012 0.008748 -0.329618
C 5.546936 0.110503 0.286341
H -2.434383 -0.464945 -1.863018
H -4.092514 -0.675775 -1.229729
H -3.161990 -1.577349 0.923749
H -5.053481 1.161866 0.342849
H -4.006657 0.366579 1.566187
H -3.887992 2.126385 1.307733
H -2.302628 1.970546 -2.125271
H -4.082416 1.971168 -1.885145
H -3.031227 3.054377 -0.908535
H 0.607466 1.386993 1.579906
H 0.662686 -0.342488 2.057281
H 1.516551 0.800067 -0.686050
H 1.487100 -0.933165 -0.273725
H -1.814134 -2.911951 -1.522211
H -2.013833 -3.653044 0.094800
H -3.456127 -3.286244 -0.903986
H 3.165457 1.191910 1.228812
H 3.174551 -0.559373 1.546874
H 4.029385 -0.977890 -0.815332
H 4.035490 0.774504 -1.119633
H 5.748631 -0.684064 1.021792
H 5.748803 1.099650 0.726611


%chk=000293670-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000293670

0 1
Br 7.026556 -0.266167 -1.066803
O -1.105322 -1.180290 0.385257
N -1.654150 1.195971 0.370938
C -2.991163 0.967291 -0.270367
C -3.062631 -0.434744 -0.945397
C -2.502418 -1.532272 -0.024832
C -0.854442 0.200977 0.613499
C -4.077370 1.128952 0.825197
C -3.163785 2.077449 -1.333127
C 0.536525 0.391918 1.175824
C 1.647177 0.057548 0.144754
C -2.420981 -2.915418 -0.667704
C 3.062894 0.230887 0.740425
C 4.170995 -0.063140 -0.304829
C 5.563135 0.100606 0.306230
H -2.466554 -0.421044 -1.879448
H -4.106916 -0.679424 -1.216896
H -3.095409 -1.581336 0.911371
H -5.086719 1.125316 0.373278
H -4.024801 0.320960 1.577040
H -3.931372 2.087054 1.353359
H -2.363264 2.017953 -2.092042
H -4.141348 1.985252 -1.842058
H -3.102771 3.069424 -0.853155
H 0.620358 1.443572 1.498791
H 0.659715 -0.258415 2.063501
H 1.533124 0.718425 -0.737265
H 1.514521 -0.982457 -0.208840
H -1.824145 -2.878855 -1.596053
H -1.946893 -3.635343 0.021466
H -3.433877 -3.282483 -0.914657
H 3.177248 1.265308 1.125162
H 3.179266 -0.447040 1.611219
H 4.053151 -1.092405 -0.693144
H 4.059435 0.622002 -1.166218
H 5.761894 -0.618340 1.116467
H 5.761237 1.128310 0.649056


