%chk=000258826.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258826

0 1
Br 6.776145 -1.813497 1.103674
O -0.403380 1.817906 -1.261159
O 1.034359 -1.279564 0.047342
N -0.148546 1.059599 0.891999
N 1.240541 0.906684 0.730523
C -2.991745 -0.079652 0.034440
C -4.394568 -0.171881 0.242816
C -2.402990 1.226592 -0.036839
C -2.231252 -1.284787 -0.104031
C -5.171896 1.022900 0.365387
C -3.173926 2.362438 0.072605
C -5.007933 -1.463361 0.323433
C -4.577211 2.257394 0.279647
C -0.935498 1.373849 -0.265445
C -2.847170 -2.508113 -0.024524
C -4.253085 -2.601196 0.194871
C 3.177835 -0.210133 -0.251644
C 1.733360 -0.290269 0.129094
C 4.125954 -0.925480 0.490360
C 3.557354 0.548402 -1.366844
C 5.465361 -0.856792 0.099950
C 4.903062 0.595353 -1.742192
C 5.866533 -0.105328 -1.008312
H -1.151084 -1.232204 -0.284272
H -6.246966 0.932187 0.525042
H -2.722405 3.353954 0.000913
H -6.083501 -1.520773 0.486304
H -5.164258 3.171102 0.365463
H -2.269373 -3.427263 -0.130589
H -4.710434 -3.587921 0.254292
H -0.532376 0.406063 1.593082
H 1.706036 1.802948 0.523980
H 3.816123 -1.525566 1.349881
H 2.806396 1.089740 -1.947634
H 5.204477 1.179627 -2.612612
H 6.916958 -0.064056 -1.304003


%chk=000258826-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000258826

0 1
Br 7.107944 -1.872802 1.251291
O -0.658525 2.226410 -1.303454
O 1.651579 -1.285809 0.942710
N -0.208680 0.345081 -0.071607
N 1.144256 0.534606 -0.363215
C -3.230757 -0.156324 -0.027532
C -4.601280 -0.129113 0.456619
C -2.548815 1.109973 -0.209816
C -2.656768 -1.436333 -0.344125
C -5.250460 1.126708 0.692066
C -3.239312 2.316746 -0.009074
C -5.300939 -1.363014 0.669896
C -4.590037 2.330130 0.440806
C -1.109002 1.261745 -0.592439
C -3.369533 -2.620114 -0.135662
C -4.696457 -2.589513 0.393791
C 3.503769 -0.113555 -0.147823
C 2.060406 -0.340957 0.184549
C 4.442035 -0.919254 0.547705
C 3.959609 0.832515 -1.102973
C 5.812793 -0.758991 0.285015
C 5.340977 0.974673 -1.349840
C 6.284021 0.181168 -0.655784
H -1.662477 -1.492215 -0.796839
H -6.283275 1.124716 1.060181
H -2.706214 3.254609 -0.194431
H -6.330429 -1.323290 1.045302
H -5.096469 3.287096 0.602247
H -2.909876 -3.580978 -0.390771
H -5.238898 -3.526080 0.560253
H -0.388446 -0.403898 0.606335
H 1.306246 1.368280 -0.939161
H 4.065989 -1.648613 1.270955
H 3.259639 1.451983 -1.674557
H 5.693227 1.702120 -2.088233
H 7.355056 0.291194 -0.847387


