%chk=000194660.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194660

0 1
Br -0.592407 -1.780904 -1.575647
P 3.186207 -2.042130 1.074962
O 1.024188 0.581402 -0.633347
O 0.343636 3.455131 -1.680155
O 2.650353 3.504806 -0.695499
O 3.465257 -0.417866 1.139188
O 2.011146 -2.355563 -0.018532
O 2.183619 -2.278801 2.367677
O 4.457200 -2.753153 0.975441
N -1.063866 0.953168 0.440711
N -2.236346 0.956065 2.432611
N -2.329732 -0.901514 -0.700682
N -4.229300 -1.700824 0.618132
N -4.711289 -0.910013 2.793038
C 0.336207 2.857149 -0.384295
C 1.804264 2.726436 0.133190
C -0.140176 1.399338 -0.632287
C 2.141264 1.219565 0.041905
C 2.370995 0.488171 1.371229
C -2.061126 -0.022591 0.326946
C -1.210682 1.492943 1.771887
C -2.803259 0.013316 1.559142
C -3.923481 -0.862374 1.680710
C -3.431847 -1.694274 -0.482024
C 2.267110 -2.122253 -1.435976
C 1.054771 -2.692511 -2.139492
H -0.315494 3.456210 0.281121
H 1.962377 3.165807 1.139887
H -0.609073 1.227798 -1.639683
H 3.007496 1.037644 -0.643204
H 1.452328 -0.020996 1.724989
H 2.760957 1.157589 2.165056
H 0.712157 4.374800 -1.617245
H 2.597617 3.191228 -1.638628
H -0.540626 2.248752 2.155169
H -3.691282 -2.407789 -1.287703
H -4.507367 -0.324387 3.590358
H -5.489097 -1.551687 2.850145
H 1.313994 -2.727041 2.160473
H 3.197518 -2.647864 -1.728326
H 2.356523 -1.027592 -1.592298
H 0.923864 -3.760449 -1.900786
H 1.143300 -2.593145 -3.230858


%chk=000194660-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194660

0 1
Br 0.058868 -3.899011 -1.599969
P 3.497243 -1.621461 1.347229
O 1.272519 0.465656 -0.797580
O 0.425904 3.034519 -2.160500
O 1.562292 4.016851 0.040300
O 3.638482 0.057673 1.068997
O 2.286348 -2.306036 0.303393
O 2.559166 -1.616971 2.783935
O 4.895469 -2.354652 1.291264
N -1.000209 0.274229 -0.030492
N -1.789433 -1.303422 1.441636
N -3.034437 1.725612 -0.176321
N -4.860992 0.887091 1.242051
N -4.665448 -1.060226 2.566879
C -0.108690 2.429823 -0.932236
C 0.967637 2.702894 0.156020
C -0.100315 0.888796 -1.047605
C 1.992573 1.541133 -0.041456
C 2.521784 1.015696 1.288345
C -2.316909 0.652575 0.279548
C -0.747234 -0.918190 0.682413
C -2.776759 -0.331121 1.196290
C -4.109135 -0.179027 1.681390
C -4.293833 1.760370 0.356945
C 2.650469 -2.562624 -1.115599
C 2.084022 -3.905322 -1.540036
H -1.107778 2.824490 -0.682249
H 0.507213 2.659803 1.158154
H -0.380232 0.531917 -2.054054
H 2.828280 1.876533 -0.680339
H 1.725136 0.551414 1.896801
H 2.979418 1.848891 1.850742
H -0.312961 3.291993 -2.762706
H 1.607325 4.212922 -0.937037
H 0.199976 -1.446998 0.585304
H -4.929490 2.591371 0.036986
H -4.125029 -1.858400 2.894133
H -5.623151 -0.910762 2.877755
H 2.097895 -2.466291 2.998661
H 3.755797 -2.605153 -1.213390
H 2.252677 -1.722965 -1.709841
H 2.355568 -4.708679 -0.840154
H 2.397873 -4.153342 -2.566304


