%chk=000271533.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271533

0 1
Br -0.828440 6.359052 -0.810357
O -2.764357 0.755277 0.311996
N -1.390862 -1.051132 -0.440573
N 3.709390 0.832902 1.016027
C -1.874676 -0.326910 0.766457
C -0.717171 0.222621 1.599418
C -2.850996 -1.289209 1.500623
C 0.014784 1.305971 0.849975
C -2.991907 -2.451504 0.560459
C -2.176064 -2.238323 -0.592047
C 2.305111 0.288423 1.156249
C -0.891046 2.337350 0.315584
C 1.341730 1.330443 0.657710
C -2.242172 2.001170 0.072525
C 2.258233 -1.008112 0.282722
C 3.667492 -1.184236 -0.201008
C -3.762789 -3.593286 0.664870
C 4.484732 -0.123948 0.294202
C -2.141188 -3.153801 -1.636900
C -0.483263 3.652182 0.047467
C -3.167896 2.931459 -0.431354
C -3.724452 -4.530047 -0.387496
C -2.931300 -4.310786 -1.512676
C 4.214705 -2.169066 -1.000490
C -1.403438 4.575039 -0.451361
C 5.844111 -0.061992 0.005252
C -2.739033 4.229602 -0.694529
C 5.590483 -2.107516 -1.302354
C 6.384264 -1.074405 -0.807825
H -1.104369 0.638726 2.555104
H -0.045044 -0.615254 1.879362
H -2.465778 -1.595190 2.487974
H -3.825191 -0.785281 1.676065
H -1.222405 -0.483796 -1.269652
H 2.091384 0.041914 2.225489
H 1.814699 2.135393 0.083189
H 1.908454 -1.878092 0.863735
H 1.549091 -0.899723 -0.561306
H 4.118617 1.191535 1.874070
H -4.390926 -3.771505 1.534395
H -1.524246 -2.993133 -2.515086
H 0.552568 3.946719 0.236006
H -4.198035 2.624571 -0.605359
H -4.326685 -5.433145 -0.315823
H -2.918437 -5.046036 -2.317185
H 3.604717 -2.980292 -1.390097
H 6.467511 0.743929 0.376697
H -3.442821 4.967094 -1.086304
H 6.030943 -2.878575 -1.929522
H 7.445468 -1.042974 -1.052317


%chk=000271533-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000271533

0 1
Br -0.888343 6.106122 -1.436448
O -2.900937 0.748763 0.864731
N -1.787732 -1.086473 -0.341625
N 3.641568 0.719989 0.827874
C -1.938527 -0.454631 0.950164
C -0.615813 0.074922 1.534513
C -2.727098 -1.493411 1.794053
C -0.003872 1.106159 0.592219
C -3.284395 -2.458878 0.755704
C -2.684634 -2.164260 -0.500335
C 2.351419 0.048419 0.486068
C -0.968190 2.158674 0.172916
C 1.283279 1.053535 0.130701
C -2.370902 1.935178 0.342614
C 2.770333 -0.885738 -0.709540
C 4.268442 -1.076565 -0.496267
C -4.200652 -3.512666 0.869476
C 4.726244 -0.071909 0.405271
C -2.983838 -2.913682 -1.654477
C -0.555786 3.412393 -0.359161
C -3.314012 2.927668 -0.015505
C -4.517471 -4.280340 -0.284825
C -3.911201 -3.979613 -1.526664
C 5.173873 -1.980534 -1.068182
C -1.503246 4.384120 -0.711071
C 6.093699 0.041802 0.737166
C -2.889213 4.161320 -0.542585
C 6.553712 -1.886375 -0.735477
C 6.998993 -0.881340 0.154569
H -0.843333 0.536917 2.515412
H 0.056157 -0.779935 1.706393
H -2.048137 -2.007048 2.501043
H -3.504554 -0.975641 2.378886
H -1.280106 -0.641935 -1.104960
H 2.030205 -0.593439 1.334695
H 1.628074 1.809895 -0.588560
H 2.187967 -1.822610 -0.709251
H 2.578985 -0.370078 -1.672196
H 3.697023 1.307303 1.660196
H -4.669798 -3.745680 1.832382
H -2.525668 -2.684054 -2.622561
H 0.510431 3.631141 -0.465446
H -4.377565 2.712047 0.121496
H -5.233828 -5.105343 -0.212843
H -4.163453 -4.576333 -2.410717
H 4.826568 -2.753935 -1.763540
H 6.451599 0.815657 1.425324
H -3.618016 4.929121 -0.816053
H 7.271109 -2.591342 -1.168460
H 8.064140 -0.813252 0.404885


