%chk=000257926.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257926

0 1
Br -3.411664 -4.285663 -0.697743
Br -3.417725 4.280609 -0.698696
C 0.711709 0.000580 0.996060
C -0.163215 -1.186683 0.617552
C -0.164895 1.186520 0.617289
C -1.422445 -0.735789 0.114133
C -1.423486 0.733732 0.113971
C 2.041983 0.001443 0.285291
C 0.116767 -2.538270 0.718000
C 0.113176 2.538523 0.717435
C -2.396467 -1.642244 -0.279092
C -2.398790 1.638721 -0.279454
C 3.230897 0.002359 1.028327
C 2.096428 0.001330 -1.117014
C -0.866497 -3.463743 0.318945
C -0.871397 3.462518 0.318177
C -2.090855 -3.008702 -0.164836
C -2.095111 3.005636 -0.165502
C 4.464903 0.003161 0.370680
C 3.331835 0.002133 -1.768146
C 4.518099 0.003050 -1.026156
H 0.861797 0.000809 2.107695
H 1.078487 -2.888198 1.090491
H 1.074402 2.889894 1.089847
H -3.359801 -1.306895 -0.661953
H -3.361649 1.301925 -0.662239
H 3.200879 0.002453 2.115994
H 1.172061 0.000614 -1.694803
H -0.657381 -4.532292 0.392432
H -0.663792 4.531377 0.391428
H 5.386796 0.003874 0.950291
H 3.370785 0.002045 -2.856692
H 5.479665 0.003676 -1.535811


%chk=000257926-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257926

0 1
Br -3.551967 -4.342764 -0.611381
Br -3.558058 4.337559 -0.612350
C 0.716478 0.000563 0.927421
C -0.183588 -1.189678 0.573789
C -0.185266 1.189466 0.573556
C -1.464882 -0.738843 0.139130
C -1.465920 0.736737 0.138979
C 2.092513 0.001471 0.256039
C 0.099337 -2.563156 0.647173
C 0.095713 2.563359 0.646665
C -2.477680 -1.657554 -0.214491
C -2.480015 1.653940 -0.214840
C 3.272639 0.002462 1.038892
C 2.208544 0.001339 -1.158329
C -0.904076 -3.499570 0.292540
C -0.909019 3.498280 0.291827
C -2.170006 -3.030466 -0.126711
C -2.174280 3.027306 -0.127345
C 4.547271 0.003294 0.425461
C 3.478271 0.002165 -1.772989
C 4.653399 0.003144 -0.983011
H 0.885925 0.000788 2.025334
H 1.085327 -2.918972 0.964547
H 1.081192 2.920646 0.963976
H -3.465561 -1.325762 -0.546349
H -3.467425 1.320685 -0.546640
H 3.194778 0.002584 2.133777
H 1.301545 0.000591 -1.774715
H -0.704201 -4.573530 0.340174
H -0.710661 4.572531 0.339242
H 5.451412 0.004054 1.044485
H 3.554887 0.002050 -2.866137
H 5.638875 0.003785 -1.461819


