%chk=000266353.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000266353

0 1
Br -3.909975 1.442989 1.720638
O 1.994942 1.097114 1.232580
O 2.625458 2.469929 -1.622124
O 3.142914 -0.923479 -1.466623
O 2.607238 -2.381350 0.392102
N -0.111731 1.174297 0.172421
N -0.059517 -0.942474 -1.160248
N -2.178472 -2.159806 -1.172163
N -4.097755 -1.406348 -0.031005
C 1.283917 1.655744 0.117940
C 2.040086 1.244779 -1.167822
C 3.153067 0.259208 -0.705647
C 2.917603 0.051741 0.815249
C 2.304538 -1.286847 1.260453
C -0.661288 -0.007542 -0.349915
C -1.118556 1.808635 0.963651
C -2.030474 -0.090489 0.082068
C -2.273472 1.059805 0.899126
C -2.783372 -1.213304 -0.363039
C -0.869923 -1.976626 -1.519794
H 1.304942 2.762884 0.298995
H 1.406374 0.806590 -1.969822
H 4.163887 0.687172 -0.907137
H 3.832869 0.291149 1.401178
H 1.195258 -1.247140 1.240248
H 2.632904 -1.549647 2.283126
H -0.920334 2.726696 1.492030
H 2.928255 2.373344 -2.551954
H 2.279802 -1.437215 -1.327054
H 3.567856 -2.400330 0.170570
H -0.424993 -2.756938 -2.162572
H -4.596548 -0.769630 0.567227
H -4.587898 -2.224512 -0.364382


%chk=000266353-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000266353

0 1
Br -4.222216 1.993325 1.123587
O 1.785704 0.514098 1.299676
O 2.711173 2.549304 -1.091575
O 2.367559 -1.172423 -1.320573
O 4.217625 -2.153606 0.419052
N -0.268944 1.087797 0.225694
N -0.210572 -1.154176 -0.810460
N -2.387423 -2.220441 -1.045182
N -4.387408 -1.231601 -0.348248
C 1.163830 1.407803 0.318849
C 1.975856 1.278487 -1.005769
C 2.921749 0.062871 -0.786308
C 3.098926 0.039664 0.755906
C 3.378784 -1.370240 1.327022
C -0.849817 -0.089211 -0.240510
C -1.290505 1.910706 0.741410
C -2.266702 -0.009702 -0.039936
C -2.510942 1.266692 0.582504
C -3.027508 -1.144223 -0.472182
C -1.037495 -2.172462 -1.186034
H 1.231906 2.459081 0.656285
H 1.333009 1.124561 -1.893349
H 3.890923 0.211732 -1.292012
H 3.876862 0.772957 1.046051
H 2.401130 -1.860780 1.513141
H 3.933670 -1.311362 2.276424
H -1.062467 2.879496 1.179122
H 3.300866 2.532711 -1.886760
H 1.346621 -1.227088 -1.093919
H 3.681935 -2.231642 -0.426091
H -0.562489 -3.041827 -1.648320
H -4.933524 -0.481459 0.071409
H -4.842515 -2.080643 -0.680600


