%chk=000249650.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000249650

0 1
Br 4.082371 1.459894 1.543699
O 2.307215 -1.573822 -0.331297
N 0.814699 0.221834 -0.408650
N 3.110025 0.490376 -0.967998
C -1.618550 0.321674 -0.066443
C -0.402191 -0.466841 -0.107766
C -2.835407 -0.343215 0.238812
C -1.653301 1.729512 -0.316436
C -0.437661 -1.824878 0.143032
C -2.839929 -1.749935 0.494050
C -4.053129 0.411004 0.287114
C -1.668539 -2.462716 0.445245
C -2.832587 2.430067 -0.264398
C -4.051760 1.760352 0.042317
C 2.087866 -0.390374 -0.527832
C 4.505891 0.013325 -0.857574
C 4.955176 -0.026580 0.603208
H 0.475474 -2.431055 0.114608
H -0.724894 2.251057 -0.551562
H -3.783763 -2.237941 0.725740
H -4.978294 -0.113524 0.522937
H 0.726150 1.225769 -0.589680
H -1.658487 -3.536254 0.638091
H -2.855801 3.501339 -0.455021
H -4.974155 2.338292 0.077840
H 4.577245 -1.012456 -1.300698
H 5.151506 0.687193 -1.463594
H 2.981388 1.499661 -0.944496
H 6.044347 0.074187 0.722721
H 4.626894 -0.957145 1.106731


%chk=000249650-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000249650

0 1
Br 5.432496 2.435391 0.568854
O 2.267995 -1.808867 -0.257315
N 0.768419 0.026083 -0.344353
N 3.068762 0.355324 -0.614390
C -1.662777 0.247023 -0.056483
C -0.487993 -0.604780 -0.138062
C -2.957714 -0.380148 0.129615
C -1.617081 1.679664 -0.147350
C -0.616774 -1.998705 -0.019420
C -3.052768 -1.805413 0.241475
C -4.130490 0.443031 0.203586
C -1.900463 -2.587602 0.171692
C -2.776953 2.455670 -0.070028
C -4.050552 1.832323 0.104522
C 2.039368 -0.568330 -0.392095
C 4.464584 -0.076882 -0.655739
C 5.286955 0.396457 0.545671
H 0.278240 -2.620052 -0.075502
H -0.665846 2.213970 -0.268780
H -4.037771 -2.264074 0.383157
H -5.101325 -0.047374 0.342995
H 0.734747 1.036074 -0.482655
H -1.967985 -3.677421 0.259406
H -2.709742 3.546770 -0.139329
H -4.955005 2.447080 0.163510
H 4.446449 -1.184403 -0.647371
H 4.945513 0.253463 -1.595340
H 2.887443 1.359548 -0.663483
H 6.329544 0.046947 0.499424
H 4.818520 0.138030 1.506489


