%chk=000222338.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222338

0 1
Br 2.854296 2.604284 0.662143
O 0.520472 0.115819 -0.319463
O 1.577095 -0.423078 1.611868
C -0.750195 -0.512008 0.123151
C -1.797070 0.391704 -0.532748
C -3.180341 0.191786 0.095177
C -0.735623 -1.950321 -0.399528
C -4.231069 1.087909 -0.575674
C -0.191610 -2.931785 0.632052
C -5.611963 0.897817 0.047071
C 1.595281 0.098422 0.524293
C 2.735881 0.821708 -0.169464
C 4.052187 0.063006 -0.015533
C 4.028854 -1.245339 -0.800289
H -0.782516 -0.460680 1.233968
H -1.831863 0.212526 -1.624764
H -1.475154 1.449736 -0.426889
H -3.486854 -0.869425 0.014677
H -3.140195 0.411876 1.180392
H -0.126300 -1.992122 -1.326410
H -1.758180 -2.251579 -0.704001
H -3.927294 2.150361 -0.494023
H -4.276615 0.869538 -1.660682
H -0.028693 -3.922567 0.194975
H -0.877400 -3.053892 1.478754
H 0.767661 -2.589501 1.049720
H -5.611649 1.144462 1.115169
H -5.961847 -0.136202 -0.050001
H -6.355684 1.541682 -0.436285
H 2.490773 1.000666 -1.245673
H 4.248201 -0.142275 1.060788
H 4.896096 0.696234 -0.361360
H 3.246290 -1.925083 -0.438405
H 3.857824 -1.082449 -1.870718
H 4.984206 -1.776231 -0.700186


%chk=000222338-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000222338

0 1
Br 2.367833 2.206813 -1.779187
O 0.572753 -0.637678 -0.794045
O 1.147215 0.528562 1.150895
C -0.796145 -0.963407 -0.231612
C -1.726683 0.227637 -0.531723
C -3.116988 0.096681 0.133980
C -1.198415 -2.291201 -0.887238
C -3.980232 1.366311 -0.051477
C -0.280996 -3.470583 -0.503036
C -5.376778 1.239988 0.593673
C 1.408599 0.146168 -0.013653
C 2.702296 0.446859 -0.767136
C 3.923352 0.596089 0.143927
C 4.295240 -0.752148 0.810553
H -0.673686 -1.076758 0.864145
H -1.838516 0.334044 -1.628771
H -1.241967 1.151256 -0.161131
H -3.663944 -0.772821 -0.283139
H -2.990313 -0.099019 1.219383
H -1.205455 -2.154277 -1.986106
H -2.239441 -2.514876 -0.585104
H -3.445821 2.234304 0.384394
H -4.088226 1.578958 -1.134585
H -0.613705 -4.404602 -0.990441
H -0.284949 -3.639990 0.590241
H 0.759892 -3.274846 -0.814448
H -5.296068 1.055101 1.681472
H -5.944894 0.399754 0.151495
H -5.971027 2.161014 0.451175
H 2.848676 -0.280447 -1.580334
H 3.700869 1.350299 0.918971
H 4.772115 0.967539 -0.457345
H 3.481285 -1.113809 1.463239
H 4.515490 -1.532384 0.058233
H 5.195636 -0.623530 1.436836


