%chk=000288972.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000288972

0 1
Br 0.146592 0.607688 -1.508384
O -1.674172 0.699260 2.193965
N 1.011298 -0.616296 0.136264
C 0.195864 -1.530957 1.014747
C 0.381346 -0.064210 1.386393
C 2.504387 -0.825498 0.179004
C 2.872856 -1.702797 -1.036025
C 3.236217 0.529876 0.116830
C -1.069302 -2.073406 0.440188
C 4.390756 -1.919987 -1.091892
C 4.753688 0.306491 0.070809
C -0.785570 0.908206 1.392399
C 5.147507 -0.584192 -1.116497
C -2.251053 -2.037481 1.193812
C -1.064469 -2.664508 -0.831787
C -0.818950 2.170645 0.580138
C -3.420121 -2.602877 0.678623
C -2.237788 -3.227615 -1.340532
C -0.521475 2.225421 -0.789270
C -1.257637 3.342400 1.218401
C -3.414907 -3.201719 -0.585505
C -0.644703 3.404671 -1.520481
C -1.370393 4.536083 0.500126
C -1.069918 4.566599 -0.865752
H 0.707136 -2.280973 1.643969
H 1.041204 0.178269 2.240201
H 2.821605 -1.356585 1.114009
H 2.525375 -1.219294 -1.970517
H 2.346837 -2.673431 -0.980912
H 2.963549 1.158367 0.982842
H 2.914114 1.097662 -0.779219
H 4.649030 -2.514737 -1.988349
H 4.718908 -2.521489 -0.222666
H 5.099957 -0.152213 1.016403
H 5.271725 1.281258 -0.002621
H 6.237679 -0.768110 -1.105227
H 4.934888 -0.053882 -2.065181
H -2.261372 -1.544540 2.169349
H -0.151136 -2.669411 -1.424066
H -4.338357 -2.570453 1.262694
H -2.235649 -3.683293 -2.328729
H -1.522341 3.310370 2.278081
H -4.326896 -3.641095 -0.983573
H -0.414999 3.423122 -2.585305
H -1.703738 5.441927 1.004657
H -1.169271 5.496834 -1.425217


%chk=000288972-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000288972

0 1
Br -3.840494 1.615368 1.504602
O -0.953982 1.518742 2.846033
N 1.239680 -0.341616 0.406788
C 0.231443 -1.303688 0.926296
C 0.474801 0.066507 1.639238
C 2.680560 -0.680620 0.633783
C 3.161302 -1.635491 -0.479996
C 3.516788 0.616491 0.654374
C -0.969388 -1.651138 0.100148
C 4.669070 -1.951448 -0.326977
C 5.024998 0.306618 0.809766
C -0.547732 1.169815 1.698747
C 5.515525 -0.655732 -0.298514
C -1.975462 -2.482067 0.658039
C -1.110877 -1.195750 -1.234136
C -1.068688 1.835416 0.452279
C -3.108483 -2.843446 -0.101750
C -2.241952 -1.562039 -1.995894
C -2.433635 2.184104 0.261810
C -0.136240 2.249753 -0.540152
C -3.245744 -2.383859 -1.432671
C -2.853609 2.914076 -0.869396
C -0.540255 3.002167 -1.660786
C -1.903191 3.334271 -1.827016
H 0.617628 -2.139670 1.535472
H 0.995790 -0.040952 2.604783
H 2.807436 -1.198062 1.621018
H 2.977003 -1.150840 -1.459464
H 2.563922 -2.567765 -0.463255
H 3.171026 1.279331 1.471793
H 3.347564 1.154835 -0.300461
H 4.998232 -2.608616 -1.154355
H 4.835557 -2.515720 0.614173
H 5.207495 -0.154715 1.802571
H 5.604518 1.249119 0.786500
H 6.584178 -0.900814 -0.146455
H 5.437703 -0.148407 -1.282232
H -1.875172 -2.837543 1.691261
H -0.324299 -0.564130 -1.658527
H -3.882602 -3.479574 0.341797
H -2.340792 -1.205303 -3.027375
H 0.910225 1.962784 -0.417114
H -4.125370 -2.664098 -2.023114
H -3.913009 3.153061 -0.999175
H 0.201425 3.322048 -2.400055
H -2.234593 3.912699 -2.696208


