%chk=000277670.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000277670

0 1
Br 3.350456 -1.500346 2.026683
Br -0.820346 -0.317008 -0.351751
O -0.118970 -5.292655 -1.556058
O 1.543639 -4.414887 -0.475396
N 1.705739 -1.737197 -0.293756
N -1.942260 -1.785588 -1.667896
N 0.590198 -1.830920 -1.031836
N -1.507076 -2.896010 -1.259823
N 0.464555 -4.356007 -1.068149
C 4.105328 0.962040 0.630556
C 3.951046 1.864336 -0.460342
C -3.648562 0.754706 0.218583
C -5.035234 0.525235 -0.046635
C 3.315234 -0.223099 0.625769
C 2.445518 -0.506524 -0.412910
C 3.026919 1.560671 -1.511161
C 5.031574 1.282374 1.672556
C 4.726395 3.066241 -0.485414
C 2.288368 0.405737 -1.500464
C -2.745953 -0.145008 -0.370239
C -5.444862 -0.573252 -0.864623
C -3.251797 1.856480 1.042488
C -5.994077 1.423002 0.529477
C -3.170909 -1.210787 -1.160805
C 5.760956 2.443981 1.618867
C 5.607979 3.348032 0.527719
C -4.534266 -1.447630 -1.425386
C -4.199162 2.690443 1.574315
C -5.587340 2.470463 1.313720
C -0.083593 -2.983084 -1.219427
H 2.921096 2.272398 -2.332995
H 5.152969 0.593224 2.510115
H 4.602009 3.750538 -1.324545
H 1.582684 0.172109 -2.302530
H -6.512449 -0.716995 -1.040858
H -2.188039 2.006744 1.230077
H -7.051648 1.252099 0.329432
H 6.469015 2.693182 2.409661
H -4.838736 -2.289427 -2.044510
H 6.202287 4.261182 0.515481
H -3.914418 3.533179 2.203852
H -6.312887 3.154253 1.753540
H 2.226021 -2.603426 0.003818


%chk=000277670-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000277670

0 1
Br 5.137832 -2.468004 -0.570801
Br -2.382336 2.402043 -0.351083
O -0.717951 -4.400378 -0.942291
O 1.509855 -3.900824 -0.810936
N 2.210291 -1.444670 -0.424069
N -1.765346 -0.599498 -0.391231
N 0.898821 -1.198085 -0.383171
N -1.413744 -1.866501 -0.406882
N 0.232229 -3.563548 -0.770401
C 5.463596 0.431042 -0.094493
C 4.948178 1.773689 0.124619
C -5.050974 1.205054 -0.010236
C -5.964287 0.079761 0.115663
C 4.511062 -0.627553 -0.272374
C 3.124102 -0.386333 -0.239533
C 3.529466 1.991024 0.154112
C 6.884629 0.239647 -0.120775
C 5.869377 2.852752 0.305617
C 2.635471 0.947391 -0.022270
C -3.651757 0.917658 -0.176439
C -5.450030 -1.261397 0.070178
C -5.592008 2.533115 0.037105
C -7.361519 0.332573 0.281996
C -3.164066 -0.407994 -0.217463
C 7.755915 1.316789 0.059219
C 7.249276 2.635357 0.274481
C -4.097326 -1.502041 -0.089552
C -6.963152 2.744888 0.200878
C -7.858272 1.638592 0.325030
C -0.047757 -2.124835 -0.523656
H 3.155198 3.007230 0.319091
H 7.284378 -0.765317 -0.284520
H 5.469948 3.860204 0.469537
H 1.552246 1.093168 -0.005315
H -6.153483 -2.096474 0.163308
H -4.913159 3.385352 -0.058014
H -8.041087 -0.522341 0.375773
H 8.837883 1.149651 0.035261
H -3.681955 -2.513360 -0.129946
H 7.944280 3.469895 0.413937
H -7.355879 3.766556 0.234017
H -8.931073 1.817732 0.453133
H 2.520531 -2.429213 -0.588302


