%chk=000233576.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233576

0 1
Br 1.736757 1.347805 3.031681
O 3.424219 1.687897 0.236093
O 1.876968 1.931007 -1.376654
O 0.118931 3.191089 1.296772
O 1.439750 -1.629175 -2.627646
O 2.853541 -1.772453 -0.990294
N 1.797266 -1.430355 -1.487552
C 1.562645 0.246985 0.394447
C 0.799360 -0.678590 -0.580752
C 0.650532 0.844092 1.473845
C -0.026153 -1.726972 0.126322
C 2.253258 1.368974 -0.374300
C -0.169690 2.063747 0.999410
C -1.396420 -1.824994 -0.152597
C 0.569057 -2.607832 1.043253
C -1.349456 1.717585 0.147711
C -2.169796 -2.792254 0.495932
C -0.209560 -3.571349 1.687267
C -1.579462 -3.663584 1.416310
C -2.503999 1.178142 0.727087
C -1.302002 1.997092 -1.224898
C -3.615230 0.907265 -0.077331
C -2.412854 1.713523 -2.023357
C -3.568562 1.171140 -1.450433
H 2.372407 -0.373769 0.895419
H 0.151537 -0.056150 -1.266204
H -0.052797 0.058885 1.854508
H -1.864060 -1.150385 -0.873037
H 1.641628 -2.551393 1.243021
H -3.234662 -2.869211 0.277378
H 0.253448 -4.255863 2.398496
H -2.184183 -4.418400 1.918867
H -2.545153 0.981070 1.798053
H -0.398627 2.435755 -1.665762
H 3.898813 2.453425 -0.204009
H -4.520524 0.497131 0.368790
H -2.380066 1.925682 -3.092501
H -4.437161 0.960938 -2.074836


%chk=000233576-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000233576

0 1
Br 0.509101 1.894983 2.443442
O 2.873058 2.238680 0.325823
O 3.365041 0.712970 -1.347436
O 0.393381 1.760278 -1.373732
O 3.138271 -2.643954 -1.567409
O 3.636346 -1.955752 0.547197
N 2.898330 -1.974462 -0.507422
C 1.738463 0.088759 0.404120
C 1.546028 -1.186342 -0.468822
C 0.372677 0.696761 0.790209
C 0.478490 -2.159064 0.016246
C 2.706168 1.027649 -0.333701
C -0.299502 1.482856 -0.348805
C -0.573047 -2.530855 -0.856810
C 0.524385 -2.705537 1.326033
C -1.743268 1.850680 -0.261278
C -1.576305 -3.427072 -0.424367
C -0.474797 -3.605350 1.753815
C -1.529667 -3.965874 0.881527
C -2.598754 1.396913 0.780596
C -2.280478 2.668066 -1.295270
C -3.962637 1.753776 0.783480
C -3.640837 3.028341 -1.286115
C -4.486556 2.570588 -0.246180
H 2.250492 -0.216335 1.337531
H 1.382435 -0.907589 -1.521165
H -0.285147 -0.107546 1.155713
H -0.602916 -2.123095 -1.874036
H 1.349294 -2.446440 2.000634
H -2.385587 -3.708263 -1.106582
H -0.428205 -4.030100 2.762330
H -2.303058 -4.666298 1.215098
H -2.210765 0.776599 1.594554
H -1.609145 3.005003 -2.091851
H 3.515122 2.801270 -0.186568
H -4.616058 1.400444 1.588008
H -4.044622 3.662103 -2.082635
H -5.546030 2.849706 -0.237677


