%chk=000288066.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000288066

0 1
Br 2.428363 3.007926 0.284827
O -3.216634 1.498127 -0.272196
O -2.937047 0.917301 1.789879
N -1.506985 -1.680433 -0.168781
N 3.001850 0.303246 -0.465551
N -2.537404 1.088933 0.651578
C -2.370602 -2.019916 1.012999
C -2.395589 -1.638939 -1.382048
C -3.847227 -1.863331 0.598259
C -3.853003 -1.515520 -0.899989
C 3.442676 -0.815665 -1.365067
C 3.907429 0.241398 0.737839
C 4.104835 -1.895289 -0.486531
C 4.422178 -1.209425 0.854787
C -0.682201 -0.496130 -0.014725
C 1.603812 0.348212 -0.152520
C 0.684346 -0.699928 -0.277170
C -1.113898 0.790869 0.374886
C 1.133061 1.628575 0.233372
C -0.205461 1.857794 0.499384
H -2.125886 -1.413401 1.907443
H -2.137263 -3.077942 1.263130
H -2.231166 -2.601552 -1.913670
H -2.117768 -0.825822 -2.079000
H -4.344248 -1.072835 1.191425
H -4.409275 -2.791936 0.793425
H -4.518032 -2.186841 -1.467288
H -4.237884 -0.489910 -1.063835
H 4.181412 -0.365998 -2.066420
H 2.618832 -1.212471 -1.985051
H 3.402710 0.575454 1.663599
H 4.742256 0.948983 0.540331
H 5.016733 -2.291238 -0.963298
H 3.433181 -2.758131 -0.338841
H 3.932875 -1.736771 1.691497
H 5.503831 -1.225485 1.068709
H 1.016509 -1.702044 -0.561599
H -0.556816 2.852835 0.790010


%chk=000288066-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000288066

0 1
Br 2.765647 2.503983 1.879864
O -3.257054 1.937214 0.269052
O -2.442621 2.745115 2.246219
N -2.080248 -0.867328 -0.127012
N 2.730609 -0.321430 0.001800
N -2.346494 1.965219 1.208146
C -3.460919 -0.868394 0.431509
C -1.845051 -2.090856 -0.948898
C -4.227661 -1.838750 -0.486723
C -3.165075 -2.895088 -0.869473
C 2.826953 -1.275649 -1.134744
C 3.959347 -0.452357 0.832444
C 4.345630 -1.596284 -1.277033
C 5.051446 -0.694086 -0.225807
C -1.031058 -0.040219 0.247514
C 1.494144 0.180637 0.410347
C 0.305216 -0.439626 -0.069917
C -1.144556 1.167955 1.040745
C 1.305891 1.318973 1.278272
C 0.025347 1.772820 1.573972
H -3.893172 0.143686 0.410302
H -3.440749 -1.224388 1.483745
H -1.003603 -2.687487 -0.543895
H -1.588667 -1.803386 -1.987986
H -4.577436 -1.297532 -1.384346
H -5.106624 -2.275561 0.015855
H -3.090938 -3.662281 -0.077236
H -3.390204 -3.409429 -1.818642
H 2.393451 -0.812745 -2.039966
H 2.262002 -2.212983 -0.933378
H 3.865141 -1.326736 1.514987
H 4.141507 0.440759 1.442586
H 4.709617 -1.400877 -2.299134
H 4.529338 -2.662380 -1.055690
H 5.951962 -1.165888 0.202288
H 5.344209 0.271049 -0.675395
H 0.435565 -1.332385 -0.677660
H -0.118393 2.679417 2.167086


