%chk=000052256.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052256

0 1
 Br   6.489400      -1.589000      0.4819000    
 O    1.119600      -1.765800     -0.4535000    
 O   -1.830400       1.980400     -0.2220000    
 N   0.3055000      0.2982000      0.2103000    
 N  -0.9988000     -0.1374000      0.2096000    
 C    2.688200     -5.7399999E-02 -9.4999999E-02
 C   -3.389500      0.2423000      1.4600000E-02
 C    1.302700     -0.5929000     -0.1372000    
 C    3.732700     -0.9288000      0.1329000    
 C    2.884500       1.294500     -0.2851000    
 C   -2.035000      0.7702000     -1.6600000E-02
 C   -4.454600       1.074400      0.3598000    
 C   -3.624200      -1.096000     -0.3013000    
 C    5.033000     -0.4253000      0.1725000    
 C    4.184500       1.798100     -0.2456000    
 C    5.258800      0.9383000     -1.6899999E-02
 C   -5.754000      0.5683000      0.3895000    
 C   -4.923700      -1.602100     -0.2716000    
 C   -5.988600     -0.7699000      7.3700003E-02
 H    3.556000      -1.990100      0.2856000    
 H    2.079100       1.990100     -0.4967000    
 H   -4.292600       2.118900      0.6133000    
 H   -2.827000      -1.769900     -0.6016000    
 H   0.4598000       1.243000      0.5450000    
 H   -1.140800      -1.113500      0.4476000    
 H    4.361600       2.858500     -0.4001000    
 H    6.265800       1.346700      9.1000004E-03
 H   -6.583200       1.215800      0.6591000    
 H   -5.107800      -2.642500     -0.5234000    
 H   -7.000600      -1.163600      9.5500000E-02


%chk=000052256-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052256

0 1
Br 6.582158 -1.724365 0.189335
O 1.097759 -1.797876 -0.007374
O -1.806565 1.971505 0.093899
N 0.283036 0.346886 0.005563
N -1.010131 -0.176969 0.011737
C 2.721832 0.034446 -0.018545
C -3.447518 0.151731 0.051220
C 1.339309 -0.541040 -0.007932
C 3.787606 -0.898040 0.068652
C 3.006467 1.421998 -0.114416
C -2.064591 0.718049 0.052249
C -4.515046 1.059480 0.273051
C -3.734898 -1.222724 -0.166604
C 5.112112 -0.430225 0.064895
C 4.344679 1.867524 -0.116758
C 5.413438 0.945268 -0.025348
C -5.848036 0.601270 0.287822
C -5.069885 -1.678373 -0.151852
C -6.129473 -0.769299 0.078036
H 3.542667 -1.961906 0.135051
H 2.207346 2.166758 -0.199002
H -4.270342 2.115186 0.428235
H -2.937567 -1.947885 -0.368316
H 0.292224 1.372030 0.039622
H -1.027418 -1.201664 0.023082
H 4.565397 2.937105 -0.192489
H 6.450880 1.291231 -0.027077
H -6.665878 1.308634 0.461830
H -5.284201 -2.738484 -0.324029
H -7.164960 -1.126751 0.088865