%chk=000207069.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207069

0 1
Br 1.223814 -2.342993 -1.149142
Br -1.507451 -2.573592 0.218311
O 2.520086 4.049156 -0.235877
O 3.271101 1.531477 1.340942
O -3.513075 2.083941 -0.512887
N 2.572710 0.150723 -0.370222
N -2.548751 0.177260 0.345717
C 1.254946 2.097870 0.142076
C -1.175263 2.170766 -0.046116
C 0.008092 1.462328 0.183919
C 1.290364 3.478700 -0.139819
C -1.116230 3.558057 -0.302668
C 2.479877 1.299639 0.455251
C -2.517436 1.518405 -0.098696
C 0.105944 4.215558 -0.349203
C 3.456689 -0.938806 -0.117786
C -3.647447 -0.711699 0.164235
C 3.000339 -2.226808 -0.466101
C 4.725449 -0.791213 0.465083
C -3.349927 -2.090750 0.120294
C -4.979617 -0.289406 0.028194
C 3.799174 -3.350769 -0.287881
C 5.522127 -1.922510 0.654592
C -4.354181 -3.041886 -0.018813
C -5.984991 -1.247099 -0.121128
C 5.071974 -3.191953 0.273350
C -5.681920 -2.613270 -0.136363
H -0.022477 0.384915 0.397424
H -2.051762 4.105467 -0.475768
H 0.148895 5.283359 -0.549253
H 1.976033 0.089723 -1.203314
H -1.718616 -0.203761 0.819639
H 5.068234 0.199450 0.779477
H -5.215951 0.779957 0.026191
H 3.439319 -4.340752 -0.571350
H 6.509294 -1.811305 1.106263
H -4.113024 -4.105490 -0.043179
H -7.021064 -0.921189 -0.226126
H 5.708985 -4.062610 0.420161
H -6.478158 -3.347268 -0.246085
H 2.478693 5.030580 -0.397147


%chk=000207069-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000207069

0 1
Br 2.010838 -2.444602 -2.049397
Br -1.839708 -2.843177 -0.520583
O 2.575305 3.963720 -0.422609
O 3.292071 1.679307 1.333060
O -3.636362 2.282185 0.094353
N 2.596747 0.025073 -0.195076
N -2.669577 0.148767 -0.111626
C 1.237942 2.023149 0.063596
C -1.227926 2.131203 -0.112221
C -0.033399 1.408407 0.140874
C 1.309330 3.400825 -0.289385
C -1.130396 3.510174 -0.428148
C 2.478906 1.257588 0.463141
C -2.609720 1.543407 -0.026468
C 0.121523 4.137954 -0.524740
C 3.566316 -0.987721 0.000825
C -3.800767 -0.692947 -0.001787
C 3.481632 -2.196186 -0.750011
C 4.642736 -0.861268 0.925594
C -3.636759 -2.101440 -0.151236
C -5.114449 -0.207069 0.258561
C 4.413202 -3.237579 -0.602381
C 5.576700 -1.904643 1.079427
C -4.713560 -2.997129 -0.044470
C -6.196675 -1.102472 0.367836
C 5.472531 -3.092978 0.322860
C -6.008859 -2.494658 0.218775
H -0.070890 0.363576 0.475298
H -2.057509 4.068483 -0.590372
H 0.182355 5.200965 -0.790107
H 1.912565 -0.161889 -0.936015
H -1.794388 -0.345841 -0.309608
H 4.719910 0.062722 1.501437
H -5.251293 0.870725 0.363120
H 4.312583 -4.149015 -1.198335
H 6.394541 -1.782367 1.797303
H -4.545086 -4.071032 -0.164545
H -7.196260 -0.703407 0.569916
H 6.200326 -3.901560 0.442545
H -6.851446 -3.188047 0.302965
H 2.521766 4.930998 -0.626172


