%chk=000190570.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190570

0 1
Br 1.592834 -3.313677 -1.482245
O 1.606376 -0.195310 -2.008165
O 2.063930 0.336912 1.500977
O -1.217968 -2.709819 -0.132953
O 3.780488 -0.535648 -2.546522
O 2.464494 2.538737 1.821212
N -4.166877 1.362423 1.218132
C 1.853698 -0.589147 -0.632730
C 1.397007 0.609580 0.223795
C 1.005000 -1.822398 -0.342155
C -0.495579 -1.558975 -0.571162
C -0.974908 -0.288915 0.112819
C -0.086369 0.702531 0.478354
C -2.383025 -0.090524 0.322703
C -0.544276 1.904722 1.107568
C -2.823330 1.104147 0.962850
C -1.872760 2.102388 1.358704
C -3.395539 -1.016421 -0.090659
C 2.664619 -0.272346 -2.913368
C 2.582383 1.404793 2.216518
C -4.717643 -0.748612 0.156375
C -5.068371 0.465893 0.830014
C 2.135217 0.037034 -4.264735
C 3.237669 0.879697 3.441097
H 2.947988 -0.787825 -0.483943
H 1.791116 1.567319 -0.202427
H 1.187176 -2.153207 0.710060
H -0.739010 -1.514780 -1.666077
H 0.196799 2.664532 1.383102
H -2.244144 3.007432 1.845485
H -1.161453 -2.820168 0.841370
H -3.099168 -1.940207 -0.603579
H -5.504410 -1.434832 -0.148899
H -6.121414 0.691164 1.043521
H 1.114523 0.454157 -4.235469
H 2.095528 -0.877092 -4.882045
H 2.784473 0.757100 -4.788452
H 4.307564 1.147780 3.457116
H 3.166829 -0.217345 3.525642
H 2.782431 1.315407 4.346173


%chk=000190570-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000190570

0 1
Br 1.667153 -3.608894 -1.226093
O 1.387942 -0.432000 -2.054115
O 2.153292 0.093673 1.558140
O -1.079262 -2.853491 0.565962
O 3.444513 0.579207 -2.499468
O 2.631134 2.350388 1.932927
N -4.108166 1.558005 0.741637
C 1.853434 -0.736665 -0.678618
C 1.508408 0.453861 0.237778
C 1.096368 -1.963228 -0.187970
C -0.435215 -1.797860 -0.242037
C -0.898830 -0.389860 0.174818
C 0.015827 0.654025 0.409423
C -2.316356 -0.117995 0.262605
C -0.443324 1.962764 0.775736
C -2.765263 1.210170 0.638581
C -1.800970 2.234016 0.902855
C -3.337695 -1.086027 -0.033932
C 2.315892 0.220849 -2.894873
C 2.689205 1.160165 2.307239
C -4.681647 -0.720014 0.057193
C -5.021725 0.610666 0.457778
C 1.733615 0.384893 -4.277409
C 3.297096 0.644241 3.591033
H 2.945153 -0.893389 -0.686483
H 1.993999 1.377492 -0.122163
H 1.426627 -2.178296 0.841977
H -0.785940 -2.007997 -1.266806
H 0.302186 2.744616 0.956052
H -2.173892 3.223515 1.181997
H -0.923926 -2.661202 1.526626
H -3.055905 -2.105678 -0.306346
H -5.476718 -1.437714 -0.167493
H -6.072971 0.910648 0.546752
H 0.746443 0.874227 -4.223363
H 1.583489 -0.607803 -4.737386
H 2.416987 0.979190 -4.900255
H 3.909769 1.432520 4.051525
H 3.908180 -0.253013 3.401086
H 2.492987 0.358496 4.293092


