%chk=000297627.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297627

0 1
Br 3.422060 -2.201246 -2.384899
O -0.116622 -2.973672 -0.415503
O -0.741984 -0.807931 -0.227224
O 0.607738 -4.230361 -2.144952
O -1.092579 -0.068201 1.869877
N 2.380443 -0.348807 0.048638
C 1.957886 0.683985 1.044272
C 3.171722 1.058691 1.916403
C 1.371941 1.910178 0.314633
C 4.219735 1.889330 1.166114
C 2.436159 2.724625 -0.428784
C 3.591176 3.119660 0.499802
C 1.597572 -1.366141 -0.357132
C 0.234654 -1.770277 0.247100
C 1.892919 -2.274350 -1.351487
C 0.853566 -3.277265 -1.477201
C -1.455961 -0.076203 0.714066
C -2.566942 0.646715 0.068690
C -3.260766 1.611968 0.819837
C -2.942010 0.370630 -1.255702
C -4.322343 2.304622 0.237355
C -4.006750 1.069433 -1.829812
C -4.694204 2.033839 -1.085724
H 1.159587 0.244254 1.707426
H 3.639443 0.145669 2.334572
H 2.801761 1.632480 2.791348
H 0.865899 2.552506 1.063739
H 0.581097 1.587887 -0.392452
H 4.731623 1.267810 0.406754
H 5.012504 2.207763 1.871283
H 1.972846 3.633193 -0.860631
H 2.821978 2.149270 -1.292368
H 3.225437 3.820193 1.275763
H 4.360764 3.674012 -0.070277
H 3.250512 -0.153964 -0.457206
H 0.172498 -1.921761 1.341338
H -2.966584 1.807700 1.854113
H -2.399729 -0.392041 -1.825357
H -4.865084 3.053358 0.813426
H -4.302626 0.857916 -2.857381
H -5.526437 2.576334 -1.536558


%chk=000297627-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000297627

0 1
Br 3.596726 -2.478993 -2.268565
O -0.103611 -3.046145 -0.340741
O -0.705154 -0.753444 -0.249569
O 0.824373 -4.490653 -1.966148
O -1.386216 -0.343109 1.953724
N 2.365995 -0.337732 0.038161
C 1.940782 0.728632 0.983854
C 3.135124 1.131917 1.888159
C 1.384852 1.970019 0.228441
C 4.239081 1.899113 1.117057
C 2.487910 2.725692 -0.549978
C 3.659574 3.128960 0.377282
C 1.645796 -1.428567 -0.331488
C 0.265151 -1.764051 0.229199
C 1.975945 -2.424641 -1.231923
C 0.940533 -3.448637 -1.311770
C -1.568194 -0.185235 0.722277
C -2.646246 0.619274 0.094226
C -3.522734 1.339303 0.949674
C -2.821531 0.672404 -1.314218
C -4.564973 2.110714 0.398697
C -3.867117 1.446633 -1.858728
C -4.737727 2.166721 -1.005825
H 1.141038 0.307819 1.619778
H 3.551403 0.232558 2.380070
H 2.739373 1.787192 2.688787
H 0.936627 2.649193 0.981622
H 0.573464 1.653282 -0.451835
H 4.739810 1.229463 0.385141
H 5.029204 2.211926 1.825351
H 2.053431 3.622350 -1.030450
H 2.869095 2.086840 -1.373565
H 3.295089 3.862525 1.125614
H 4.453851 3.633453 -0.205059
H 3.272562 -0.215143 -0.423555
H 0.202450 -1.820675 1.329962
H -3.373473 1.276051 2.032602
H -2.149383 0.101624 -1.960498
H -5.242653 2.664094 1.057279
H -4.007328 1.485748 -2.944048
H -5.550000 2.765324 -1.433094


