%chk=000035045.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000035045

0 1
 Br   1.162600      -3.209900       1.626900    
 Br   1.169300      -3.213800      -1.621700    
 N   -2.632800       1.145700     -6.3999998E-03
 N    2.012800       1.787600      5.2999998E-03
 N  -0.3142000       1.498000     -2.3000001E-03
 N    1.158700     -0.3963000      1.0000000E-03
 N   -1.218300     -0.7247000     -5.1000002E-03
 C   -3.827000      0.3367000     -7.4999998E-03
 C    3.362000       1.315400      1.0400000E-02
 C   -1.348400      0.6235000     -5.2000000E-03
 C   0.8982000      0.9210000      5.0000002E-04
 C   5.2700002E-02  -1.157800     -2.0000001E-03
 C   -5.057900       1.222500      1.3700000E-02
 C    4.325400       2.486700     -7.6000001E-03
 C   0.2568000      -2.634600      9.9999997E-05
 H   -3.853800     -0.2958000     -0.9022000    
 H   -3.841400     -0.3176000      0.8716000    
 H    3.551900      0.7109000      0.9050000    
 H    3.551100      0.6870000     -0.8677000    
 H   -2.713300       2.156200     -8.1000002E-03
 H    1.812700       2.781200      7.4999998E-03
 H   -5.071100       1.856600      0.9067000    
 H   -5.085500       1.878800     -0.8627000    
 H   -5.967100      0.6134000      1.3500000E-02
 H    4.179000       3.103300     -0.9009000    
 H    4.181900       3.128100      0.8686000    
 H    5.360200       2.130400     -4.1999999E-03
 H  -0.7006000      -3.164700     -1.3000000E-03


%chk=000035045-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000035045

0 1
Br 1.128045 -3.338106 1.662664
Br 1.135574 -3.332294 -1.663106
N -2.622324 1.148570 -0.001238
N 2.011113 1.793122 0.007716
N -0.313236 1.524897 0.003751
N 1.189372 -0.410752 0.004646
N -1.222113 -0.747155 -0.001056
C -3.846741 0.328054 -0.006177
C 3.413026 1.337165 0.010792
C -1.356674 0.635984 0.000658
C 0.937466 0.950816 0.005475
C 0.070178 -1.176286 0.000999
C -5.090214 1.232618 0.009567
C 4.362797 2.546649 -0.011570
C 0.201861 -2.683758 -0.001137
H -3.849372 -0.323919 -0.900258
H -3.841037 -0.344480 0.872170
H 3.594144 0.712032 0.905456
H 3.587144 0.684379 -0.864960
H -2.692173 2.167777 -0.002309
H 1.799235 2.792388 0.009538
H -5.114357 1.867030 0.914987
H -5.121682 1.888487 -0.880299
H -6.004945 0.615367 0.005638
H 4.210440 3.160288 -0.918893
H 4.216896 3.189487 0.876532
H 5.410860 2.201409 -0.009402
H -0.789383 -3.151969 -0.004282


