%chk=000293227.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000293227

0 1
Br 4.222051 0.103603 2.363835
O -0.626087 2.417324 -0.044933
O -3.429926 -2.326161 0.080715
O -0.810798 -2.327774 -0.232432
O -3.257663 2.411761 0.133824
C 0.920371 0.018731 -0.213548
C -0.549027 0.064327 -0.111470
C 1.718829 0.067194 0.948440
C 1.521751 -0.078938 -1.487873
C 3.731030 -0.061479 -0.455489
C 3.116630 0.029494 0.803348
C 2.916319 -0.116583 -1.595179
C -1.251453 1.222709 -0.027441
C -1.274099 -1.213836 -0.113156
C 1.110049 0.152600 2.307966
C 0.680988 -0.150612 -2.720854
C -3.499742 0.021642 0.141016
C -2.794691 -1.132633 0.046748
C -2.777773 1.297682 0.091646
C 5.214718 -0.101403 -0.597613
C -4.977937 0.063742 0.300477
H 3.378191 -0.191947 -2.577859
H 1.432593 1.068335 2.830337
H 0.014483 0.160909 2.299317
H 1.418442 -0.699570 2.935908
H 0.091675 -1.080351 -2.737479
H -0.023521 0.691392 -2.777106
H 1.276493 -0.132761 -3.643176
H 5.683202 0.800532 -0.171681
H 5.645284 -0.964453 -0.064254
H 5.542369 -0.172348 -1.642478
H -5.261226 0.046166 1.364582
H -5.461318 -0.802952 -0.177040
H -5.410566 0.977469 -0.135720
H -1.305576 3.177548 0.026072
H -2.757467 -3.087960 -0.020253


%chk=000293227-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000293227

0 1
Br 4.329621 0.452383 2.354266
O -0.639661 2.375884 0.459813
O -3.506238 -2.282978 -0.396605
O -0.904652 -2.330012 -0.576604
O -3.241338 2.417377 0.618773
C 0.942390 -0.024030 -0.195170
C -0.547956 0.024405 -0.076451
C 1.760848 0.171370 0.962260
C 1.532748 -0.249951 -1.473821
C 3.795343 -0.069434 -0.468282
C 3.167040 0.148096 0.780840
C 2.940134 -0.267094 -1.579563
C -1.251920 1.176121 0.228548
C -1.363067 -1.166522 -0.290374
C 1.153673 0.384762 2.334337
C 0.690491 -0.461390 -2.718820
C -3.580840 0.065127 0.134791
C -2.880994 -1.085116 -0.169877
C -2.772032 1.254149 0.341980
C 5.298573 -0.091695 -0.648141
C -5.082585 0.129729 0.252132
H 3.396558 -0.433473 -2.562377
H 1.267137 1.437518 2.653831
H 0.080493 0.139939 2.345303
H 1.658189 -0.239795 3.091667
H 0.243027 -1.472732 -2.721189
H -0.138656 0.266819 -2.784617
H 1.302791 -0.360776 -3.630690
H 5.754797 0.868045 -0.342646
H 5.766347 -0.875148 -0.023778
H 5.563953 -0.282718 -1.701255
H -5.408043 -0.063177 1.292151
H -5.559848 -0.627529 -0.390587
H -5.445283 1.134020 -0.021413
H -1.381996 3.040499 0.644962
H -2.772443 -2.951273 -0.596199


