%chk=000222012.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222012

0 1
Br 6.507846 0.406615 -0.044907
O -1.624920 -1.505602 0.296515
O -0.167059 2.256201 0.520484
N 0.395851 0.135184 -0.167213
C -1.974507 0.797084 0.042870
C -2.536190 -0.496782 0.121068
C -0.529964 1.143597 0.175843
C 1.816153 0.250565 -0.115477
C -2.853720 1.882408 -0.132437
C -3.921495 -0.706370 0.020580
C -4.229658 1.687573 -0.242468
C -4.758644 0.393948 -0.164009
C -2.096025 -2.888187 0.450224
C 2.474699 1.437129 0.260711
C 2.567806 -0.893133 -0.471101
C 3.867830 1.479428 0.280313
C 3.960822 -0.842296 -0.449854
C 4.598965 0.342231 -0.074149
C -0.806616 -3.663684 0.618264
H -2.432002 2.894650 -0.174396
H 0.034126 -0.795612 -0.425649
H -4.347409 -1.701940 0.084226
H -4.890495 2.540683 -0.383093
H -5.836562 0.242507 -0.246165
H -2.743118 -2.928732 1.343663
H -2.656018 -3.166402 -0.458497
H 1.895437 2.326960 0.538703
H 2.070407 -1.814258 -0.764376
H 4.375985 2.400889 0.572533
H 4.540610 -1.724507 -0.725900
H -0.170784 -3.214160 1.397418
H -0.213398 -3.682223 -0.305053
H -1.002653 -4.702962 0.911832


%chk=000222012-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000222012

0 1
Br 6.612500 0.339408 -0.002342
O -1.569519 -1.534405 0.131087
O -0.196039 2.496139 -0.096049
N 0.408275 0.232124 0.032774
C -1.979088 0.858826 0.007668
C -2.499995 -0.471801 0.082288
C -0.520700 1.266741 -0.023283
C 1.821153 0.325844 0.019987
C -2.910842 1.927352 -0.044546
C -3.896302 -0.703021 0.103321
C -4.301246 1.707950 -0.023580
C -4.792620 0.385799 0.050835
C -2.060048 -2.927197 0.219737
C 2.532785 1.555625 -0.053307
C 2.551309 -0.894511 0.085338
C 3.944288 1.552710 -0.059470
C 3.959681 -0.897887 0.078568
C 4.645517 0.332514 0.006352
C -0.831195 -3.831597 0.267339
H -2.489694 2.936482 -0.102263
H -0.002576 -0.712966 0.089782
H -4.292571 -1.720180 0.159033
H -4.992839 2.555092 -0.064184
H -5.871273 0.194939 0.067575
H -2.675769 -3.033920 1.134393
H -2.687179 -3.144471 -0.667186
H 1.974477 2.491679 -0.104780
H 2.014259 -1.849503 0.141894
H 4.486829 2.500982 -0.115493
H 4.509980 -1.841750 0.129013
H -0.207762 -3.604029 1.149451
H -0.219453 -3.714741 -0.644026
H -1.149044 -4.887422 0.334577


