%chk=000232876.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000232876

0 1
Br 1.026248 0.277666 -3.070345
C 0.393591 0.105704 -1.156381
C 1.124266 1.224582 -0.432340
C 1.095586 -1.145479 -0.654613
C 2.217224 0.684949 0.317338
C 2.199450 -0.781011 0.179879
C -1.109252 0.111982 -1.031025
C -1.723772 -0.003234 0.275275
C 0.875634 2.584693 -0.448318
C 0.814424 -2.472555 -0.922602
C 3.057729 1.521567 1.033262
C 3.017969 -1.756067 0.725999
C -1.917997 0.225657 -2.139957
C -3.143133 0.004798 0.368635
C 1.731100 3.427833 0.288238
C 1.647690 -3.458200 -0.357481
C 2.803220 2.906708 1.010006
C 2.730334 -3.106216 0.446247
C -0.984733 -0.126373 1.495347
C -3.338323 0.232772 -2.035748
C -3.941781 0.125156 -0.812896
C -3.780987 -0.107465 1.645331
C -1.616495 -0.232820 2.709970
C -3.036848 -0.223719 2.791247
H 0.044568 2.997788 -1.018156
H -0.024996 -2.752436 -1.557484
H 3.895820 1.124962 1.600854
H 3.864017 -1.492102 1.355583
H -1.512055 0.315675 -3.150820
H 1.547972 4.501652 0.286059
H 1.438863 -4.508191 -0.558821
H 3.457728 3.575874 1.567516
H 3.367272 -3.882885 0.868240
H 0.104001 -0.136606 1.467460
H -3.925183 0.325474 -2.948936
H -5.026633 0.128944 -0.716303
H -4.869403 -0.098410 1.685252
H -1.038490 -0.325745 3.628565
H -3.512326 -0.309622 3.766524


%chk=000232876-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000232876

0 1
Br 1.054827 0.308430 -3.136461
C 0.398577 0.104839 -1.112608
C 1.152866 1.223590 -0.400229
C 1.127151 -1.150443 -0.641676
C 2.275151 0.683943 0.297412
C 2.258943 -0.786902 0.148176
C -1.134198 0.107991 -1.028392
C -1.764837 0.007855 0.282221
C 0.878390 2.599550 -0.383073
C 0.821300 -2.495343 -0.899663
C 3.145248 1.536580 1.005435
C 3.108066 -1.783377 0.669335
C -1.951028 0.196090 -2.162008
C -3.216968 0.008264 0.360506
C 1.750215 3.454414 0.336179
C 1.672361 -3.496208 -0.368676
C 2.875698 2.927239 1.017496
C 2.807903 -3.141779 0.402010
C -1.037525 -0.094729 1.517157
C -3.375973 0.194434 -2.073939
C -4.001175 0.103250 -0.834554
C -3.861734 -0.088242 1.638173
C -1.693834 -0.188662 2.746752
C -3.120018 -0.185254 2.815260
H 0.014001 3.002815 -0.921012
H -0.051297 -2.763164 -1.504700
H 4.011526 1.137918 1.544928
H 3.980950 -1.520043 1.276847
H -1.484722 0.269636 -3.147201
H 1.555655 4.532000 0.364505
H 1.453614 -4.553010 -0.556304
H 3.541619 3.604530 1.563802
H 3.457105 -3.929721 0.799878
H 0.052996 -0.100106 1.508828
H -3.966794 0.266589 -2.993110
H -5.094651 0.102028 -0.754289
H -4.957976 -0.084924 1.670261
H -1.105934 -0.265715 3.667940
H -3.623200 -0.259064 3.785395


