%chk=000187235.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187235

0 1
Br -4.405880 0.599767 -2.074939
O -2.391975 1.882849 1.283284
C -1.503377 0.070744 0.070581
C -2.496275 1.209888 0.006266
C -3.974354 0.793284 -0.143172
C -4.284580 -0.489850 0.609489
C -1.928303 -1.251560 0.120204
C -3.380681 -1.637592 0.155920
C -0.104328 0.372320 0.060920
C 0.840885 -0.680446 0.032418
C -0.971863 -2.301947 0.108264
C 0.374476 -2.022678 0.056462
C 2.265908 -0.379762 -0.018038
C 0.378590 1.738555 0.088642
C 2.691524 0.968955 -0.015820
C 1.704622 2.023005 0.050490
C 3.251610 -1.403047 -0.073244
C 4.078237 1.273821 -0.070788
C 4.595300 -1.090104 -0.126121
C 5.014676 0.261189 -0.125466
H -2.206030 1.931172 -0.797044
H -4.636891 1.618310 0.203503
H -5.349479 -0.772288 0.496658
H -4.125154 -0.297728 1.696648
H -3.530866 -2.510003 0.825603
H -3.682670 -1.986548 -0.858206
H -1.316719 -3.334556 0.137391
H 1.101877 -2.837259 0.037923
H -0.355640 2.540700 0.173543
H -2.798359 2.770026 1.239976
H 2.060493 3.052838 0.076151
H 2.933519 -2.446554 -0.074185
H 4.391038 2.316905 -0.068893
H 5.344702 -1.878843 -0.168890
H 6.078069 0.489341 -0.167931


%chk=000187235-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187235

0 1
Br -4.215571 0.570313 -2.216077
O -2.496356 1.826097 1.471755
C -1.517219 0.070145 0.115992
C -2.511661 1.220918 0.104282
C -3.967258 0.802556 -0.180234
C -4.357305 -0.473160 0.562434
C -1.960894 -1.266603 0.156247
C -3.435068 -1.645544 0.187629
C -0.104394 0.366323 0.075340
C 0.860561 -0.705170 0.036729
C -0.994201 -2.315115 0.134031
C 0.372852 -2.046953 0.068984
C 2.293319 -0.400930 -0.029241
C 0.377658 1.731577 0.078127
C 2.719462 0.976386 -0.041848
C 1.726823 2.022150 0.019523
C 3.302683 -1.412265 -0.085695
C 4.111880 1.292141 -0.108225
C 4.663754 -1.083292 -0.151045
C 5.076720 0.280259 -0.162570
H -2.208081 1.983187 -0.640477
H -4.655023 1.638144 0.029625
H -5.415394 -0.726791 0.377805
H -4.244177 -0.236623 1.640755
H -3.587150 -2.480783 0.897090
H -3.724203 -2.028087 -0.811812
H -1.343189 -3.354461 0.165414
H 1.072459 -2.887481 0.048957
H -0.340736 2.550920 0.158887
H -2.897873 2.733836 1.423734
H 2.068442 3.064197 0.026691
H 3.021310 -2.469658 -0.080718
H 4.413492 2.346420 -0.116043
H 5.414542 -1.880041 -0.194387
H 6.141899 0.530291 -0.214058


