%chk=000230113.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230113

0 1
Br 3.987355 -1.241638 -2.119822
O -1.939139 1.354344 1.868112
N 1.464122 -1.315112 -1.644333
C 2.548976 -0.786317 -0.834911
C 2.833418 -1.404298 0.523974
C 2.543478 0.703866 -0.554267
C 3.015528 -0.368251 1.490764
C 2.847148 0.934632 0.823362
C 0.088392 -1.053476 -1.360271
C 2.930887 -2.735896 0.881543
C 2.320517 1.755120 -1.423746
C -1.692442 -0.023486 -0.131340
C -2.646846 -0.546807 -1.055247
C 3.288980 -0.680677 2.812512
C 2.923452 2.226215 1.316454
C -0.344770 -0.264599 -0.258527
C -3.993597 -0.111321 -0.640159
C -0.850690 -1.582463 -2.266473
C -3.869149 0.680381 0.545582
C -2.420442 0.775873 0.929505
C -2.223975 -1.326764 -2.118065
C 3.205504 -3.047639 2.228137
C 2.396039 3.066885 -0.913423
C 3.381566 -2.039088 3.173557
C 2.692722 3.296217 0.428313
C -5.237307 -0.348202 -1.197288
C -4.978875 1.224214 1.159997
C -6.368846 0.210754 -0.564739
C -6.246549 0.980272 0.588329
H 1.623149 -2.266450 -2.010663
H 2.808789 -3.530018 0.147585
H 2.092934 1.574396 -2.474781
H 3.427123 0.099071 3.558263
H 3.150266 2.418143 2.362649
H 0.357281 0.135677 0.474026
H -0.515804 -2.185107 -3.109869
H -2.934255 -1.738091 -2.833190
H 3.282669 -4.092407 2.526874
H 2.218481 3.907893 -1.583059
H 3.594532 -2.299077 4.210734
H 2.745792 4.317906 0.805146
H -5.350663 -0.946228 -2.097197
H -4.880899 1.826965 2.063441
H -7.354980 0.031335 -0.994666
H -7.132468 1.401951 1.059977


%chk=000230113-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230113

0 1
Br 2.753279 -1.099669 -2.301599
O -3.073189 1.853701 1.746920
N 0.895736 -1.667714 0.040941
C 2.093026 -0.956972 -0.071747
C 3.276892 -1.559413 0.653445
C 2.190158 0.529838 0.194256
C 3.986436 -0.522083 1.323826
C 3.323635 0.765615 1.033212
C -0.422647 -1.218188 -0.313512
C 3.683481 -2.899264 0.750094
C 1.419424 1.603996 -0.284558
C -2.394810 0.117430 0.105144
C -3.073059 -0.499321 -0.990093
C 5.121422 -0.828009 2.100771
C 3.660712 2.075453 1.427653
C -1.088441 -0.231959 0.464860
C -4.438573 0.081742 -1.085710
C -1.088103 -1.836805 -1.404189
C -4.592313 1.049573 -0.046637
C -3.319209 1.118307 0.752101
C -2.419093 -1.486519 -1.746434
C 4.822356 -3.206326 1.535128
C 1.758575 2.918645 0.116273
C 5.533588 -2.178714 2.203015
C 2.864824 3.152264 0.969671
C -5.497832 -0.171330 -1.974307
C -5.785328 1.768966 0.119879
C -6.707966 0.555301 -1.809940
C -6.854437 1.514043 -0.777634
H 1.018130 -2.684443 0.004575
H 3.169049 -3.696709 0.200889
H 0.591496 1.439624 -0.978969
H 5.677812 -0.040295 2.620072
H 4.527209 2.262775 2.071092
H -0.600755 0.229818 1.328148
H -0.546235 -2.578100 -2.001901
H -2.908540 -1.977209 -2.594143
H 5.163934 -4.243708 1.615395
H 1.163725 3.763304 -0.246386
H 6.415558 -2.433856 2.800664
H 3.112432 4.177212 1.266699
H -5.404969 -0.907717 -2.779902
H -5.878197 2.505065 0.925174
H -7.543298 0.371009 -2.494680
H -7.798487 2.059340 -0.674757


