%chk=000271658.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271658

0 1
Br -2.762716 5.251184 -1.614434
O -1.903650 -0.050066 -3.071031
O -0.842663 2.048181 1.120316
N 0.012630 -0.462642 -1.969907
N 0.573286 0.575950 0.133321
N 2.074675 -0.973156 -0.905638
C -1.681837 1.128804 -0.946496
C -2.964897 0.540752 -0.315877
C -2.767639 -0.870478 0.248421
C -1.938719 2.502437 -1.619279
C -4.040803 -1.380557 0.962355
C -1.258448 0.191216 -2.077577
C -0.634996 1.307165 0.190176
C -2.530224 3.536153 -0.675625
C -4.263448 -0.648165 2.290361
C -3.936161 -2.893366 1.196610
C 0.886188 -0.247732 -0.852770
C 3.144361 -0.969614 0.061345
C 4.218329 -1.840916 -0.226677
C 3.159465 -0.173073 1.213208
C 5.299946 -1.901320 0.651078
C 4.255397 -0.251880 2.078089
C 5.323795 -1.109304 1.804855
H -3.304156 1.220091 0.497135
H -3.775567 0.537052 -1.073677
H -2.502388 -1.572560 -0.565348
H -1.917796 -0.890845 0.959052
H -2.617813 2.352462 -2.491329
H -0.984405 2.881124 -2.046709
H -4.921712 -1.189751 0.299426
H -1.876158 3.731803 0.201153
H -3.525324 3.246184 -0.297721
H -4.344994 0.434982 2.147120
H -3.437673 -0.818303 2.991135
H -5.182178 -0.984940 2.782204
H -3.071994 -3.148838 1.819676
H -4.826645 -3.275915 1.708145
H -3.840870 -3.442940 0.254546
H 0.269880 -1.089896 -2.739897
H 2.222008 -1.586265 -1.712866
H 4.215851 -2.463258 -1.117701
H 2.333112 0.509070 1.452022
H 6.131885 -2.571506 0.434512
H 4.268721 0.368110 2.975979
H 6.171347 -1.161836 2.485121


%chk=000271658-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000271658

0 1
Br -1.541305 4.973527 -1.450044
O -1.981441 -0.781274 -2.609514
O -1.013688 1.066639 1.717365
N 0.141643 -0.787679 -1.701446
N 0.714432 0.249156 0.402521
N 2.358296 -0.803252 -0.946044
C -1.598068 0.642599 -0.621587
C -3.062997 0.387338 -0.168692
C -3.293965 -1.011839 0.445596
C -1.455864 2.056586 -1.336770
C -4.775827 -1.292238 0.816330
C -1.203977 -0.367709 -1.710912
C -0.624045 0.638447 0.596473
C -1.833787 3.235109 -0.433462
C -5.297471 -0.331662 1.912831
C -4.941586 -2.764035 1.264086
C 1.060816 -0.409654 -0.692673
C 3.529571 -0.671348 -0.134745
C 4.729787 -1.207831 -0.675201
C 3.539478 -0.049990 1.140692
C 5.932889 -1.125639 0.052967
C 4.753850 0.019481 1.857300
C 5.951760 -0.510857 1.326844
H -3.318518 1.156906 0.578938
H -3.721367 0.518769 -1.048839
H -2.966514 -1.787932 -0.275418
H -2.673022 -1.120480 1.357773
H -2.109976 2.043405 -2.228143
H -0.415091 2.190802 -1.687781
H -5.388642 -1.140365 -0.098529
H -1.207249 3.319935 0.464690
H -2.898091 3.253777 -0.163030
H -5.291643 0.722367 1.581267
H -4.670518 -0.402668 2.822405
H -6.336334 -0.585620 2.194612
H -4.341320 -2.965827 2.172487
H -5.997376 -2.992973 1.500481
H -4.609363 -3.464952 0.475311
H 0.401908 -1.435809 -2.452506
H 2.529346 -1.251526 -1.849586
H 4.723356 -1.689910 -1.662419
H 2.611114 0.361022 1.540411
H 6.851868 -1.541481 -0.373684
H 4.757910 0.498652 2.842335
H 6.886027 -0.446371 1.894115


