%chk=000238989.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238989

0 1
Br -5.840899 -0.013996 0.770760
O 0.170321 0.358675 -2.541099
N 2.267470 -4.721686 -1.232796
N 3.401572 4.393890 -0.476532
N 0.855619 -0.148886 4.546561
C 1.143105 0.013896 -0.372036
C 1.842274 -1.314504 -0.754644
C 2.139756 1.168378 -0.647761
C 0.659923 0.023006 1.090571
C -0.040343 0.193238 -1.363940
C 1.006823 -2.569699 -0.466732
C 1.543179 2.563897 -0.409454
C 1.793752 -0.154326 2.111794
C -1.438702 0.145657 -0.821404
C -2.088424 1.330418 -0.455358
C -2.102942 -1.084040 -0.730373
C 1.710560 -3.767662 -0.895577
C 2.579401 3.583038 -0.448839
C 1.270246 -0.151047 3.468459
C -3.402661 1.285613 0.020947
C -3.416381 -1.136895 -0.257357
C -4.050855 0.051375 0.117203
H 2.814664 -1.388837 -0.225609
H 2.102592 -1.285974 -1.838256
H 3.046890 1.033583 -0.024581
H 2.490712 1.102470 -1.703377
H -0.101823 -0.770569 1.245121
H 0.125970 0.975526 1.300070
H 0.771839 -2.648067 0.622156
H 0.015108 -2.515218 -0.986467
H 0.772500 2.791010 -1.186163
H 1.016229 2.608964 0.574087
H 2.551914 0.658708 2.002677
H 2.347827 -1.105621 1.928286
H -1.582834 2.291320 -0.550093
H -1.595339 -2.004351 -1.038018
H -3.912135 2.208546 0.307473
H -3.936709 -2.094829 -0.188199


%chk=000238989-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000238989

0 1
Br -6.233725 -0.146396 0.223959
O 0.122081 0.084747 -2.433021
N 2.327358 -4.820598 -0.738436
N 3.383334 4.409539 -1.430888
N 1.434557 0.342266 4.753335
C 1.146018 0.056669 -0.243594
C 1.837380 -1.316761 -0.581291
C 2.137112 1.168571 -0.731636
C 0.844909 0.175988 1.279400
C -0.113432 0.107434 -1.186568
C 1.009717 -2.571377 -0.180350
C 1.581726 2.617142 -0.625390
C 2.063127 -0.124134 2.204505
C -1.550785 0.061825 -0.740577
C -2.091576 0.735556 0.388589
C -2.443698 -0.654308 -1.590954
C 1.730940 -3.818214 -0.487802
C 2.571690 3.612575 -1.071169
C 1.729351 0.128764 3.617142
C -3.473889 0.688059 0.668302
C -3.819715 -0.732103 -1.309747
C -4.323985 -0.056783 -0.175642
H 2.826081 -1.356370 -0.088568
H 2.019811 -1.342811 -1.669796
H 3.083633 1.096214 -0.164924
H 2.375296 0.966936 -1.790261
H 0.017226 -0.497519 1.565056
H 0.503446 1.198805 1.517974
H 0.771607 -2.569966 0.900429
H 0.042987 -2.585752 -0.718862
H 0.676132 2.721896 -1.253437
H 1.294336 2.868041 0.413485
H 2.930773 0.506794 1.934909
H 2.391081 -1.175903 2.111194
H -1.461622 1.339613 1.044482
H -2.040676 -1.140657 -2.485074
H -3.879397 1.225901 1.529626
H -4.489010 -1.298683 -1.962899


