%chk=000209375.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000209375

0 1
Br 11.732784 -0.079862 0.452052
Br -11.734441 -0.091671 -0.453556
N 1.335582 0.086458 0.676161
N -1.337173 0.060443 -0.684762
N 3.286135 1.331014 1.265234
N -3.287185 1.282015 -1.321805
N 3.386508 -0.491226 -0.370821
N -3.388259 -0.474890 0.384183
N 5.636813 0.150926 0.163934
N -5.638319 0.147002 -0.175005
N 5.127405 -1.718054 -1.324815
N -5.129616 -1.662653 1.385575
C 0.763374 -1.103125 -0.042203
C 0.456611 1.294136 0.592456
C -0.765450 -1.100416 0.079518
C -0.457602 1.270033 -0.648448
C 2.744927 0.298637 0.490911
C -2.746394 0.280394 -0.507807
C 4.788087 -0.635615 -0.478959
C -4.789895 -0.614266 0.498018
C 7.045719 0.026956 0.167089
C -7.047292 0.023713 -0.173242
C 7.789974 1.224647 0.065118
C -7.790923 1.224854 -0.117939
C 7.714573 -1.199723 0.361015
C -7.716804 -1.209237 -0.319231
C 9.179339 1.190102 0.153137
C -9.180313 1.187632 -0.204457
C 9.106849 -1.228864 0.451142
C -9.109103 -1.241137 -0.408073
C 9.824686 -0.036737 0.341230
C -9.826312 -0.045262 -0.344604
H 1.188106 -2.013505 0.441076
H 1.073439 -1.137828 -1.113224
H 1.044753 2.237768 0.592841
H -0.159235 1.295949 1.524311
H -1.190579 -2.028793 -0.367837
H -1.075509 -1.093125 1.151079
H -1.045274 2.213217 -0.685829
H 0.158235 1.235017 -1.579654
H 4.311663 1.397236 1.313964
H 2.810221 1.624550 2.106148
H -4.312690 1.346781 -1.372987
H -2.811242 1.542215 -2.173610
H 4.384521 -2.121673 -1.883481
H 6.017399 -1.674209 -1.803227
H -4.386850 -2.044497 1.959494
H -6.019525 -1.599719 1.862012
H 7.268393 2.170124 -0.077858
H -7.268840 2.174909 -0.011913
H 7.144920 -2.122237 0.466997
H -7.147645 -2.135477 -0.389288
H 9.754001 2.114305 0.074280
H -9.754489 2.114504 -0.161607
H 9.621504 -2.178232 0.607451
H -9.624262 -2.195600 -0.527287


%chk=000209375-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000209375

0 1
Br 11.815709 -0.365958 0.036690
Br -11.653757 -0.469168 -1.479401
N 1.437037 0.476532 0.364688
N -1.458829 0.540018 0.442454
N 3.570998 1.541401 0.523526
N -3.493655 1.527206 -0.311032
N 3.349912 -0.719898 -0.234181
N -3.463690 -0.644816 0.693219
N 5.614569 0.101324 -0.122855
N -5.636792 0.122712 -0.014881
N 5.068085 -2.147317 -0.809354
N -5.281042 -2.028360 1.019631
C 0.632781 -0.758461 0.182613
C 0.713684 1.716901 0.690484
C -0.698151 -0.629708 0.937291
C -0.687506 1.730422 0.043269
C 2.816220 0.434491 0.220947
C -2.834180 0.471833 0.266659
C 4.723488 -0.879241 -0.361573
C -4.831235 -0.811143 0.525646
C 7.015314 -0.081789 -0.115334
C -7.002348 -0.083159 -0.312190
C 7.832575 0.926736 -0.704805
C -7.923734 0.966327 -0.025559
C 7.669040 -1.171620 0.539807
C -7.501449 -1.246294 -0.977326
C 9.239968 0.849598 -0.664914
C -9.288364 0.859995 -0.364480
C 9.077582 -1.255279 0.588592
C -8.865314 -1.360127 -1.324241
C 9.851085 -0.247006 -0.021039
C -9.748619 -0.308409 -1.007578
H 1.217174 -1.611705 0.563686
H 0.450478 -0.946661 -0.893905
H 1.268157 2.586005 0.290463
H 0.610130 1.853319 1.788141
H -1.326630 -1.520438 0.782351
H -0.513901 -0.541675 2.027152
H -1.203981 2.650626 0.382828
H -0.575611 1.787065 -1.061391
H 4.607363 1.352954 0.357716
H 3.207815 2.346392 1.027907
H -4.541237 1.337123 -0.374987
H -3.021108 2.327132 -0.724168
H 4.308083 -2.781287 -1.042360
H 6.028214 -2.377310 -1.053271
H -4.601368 -2.623278 1.486128
H -6.273493 -2.247280 1.056905
H 7.342766 1.772377 -1.198394
H -7.550229 1.866781 0.472721
H 7.072122 -1.935411 1.050624
H -6.810231 -2.047248 -1.262348
H 9.848574 1.631267 -1.129352
H -9.980363 1.674181 -0.129200
H 9.561232 -2.090386 1.104594
H -9.228039 -2.252382 -1.843715


