%chk=000091494.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091494

0 1
 Br   2.854300       2.798500      0.5286000    
 O   -1.462700      0.4996000      -1.064400    
 O   -1.716200      -2.253400       1.219500    
 O   -3.775500      -1.221700     -0.2411000    
 O   -2.018600       3.182000     -0.4622000    
 O    1.044000      -2.754800     -0.6195000    
 O    4.474900      0.1782000      0.2479000    
 N   0.4998000     -0.5081000     -0.2911000    
 N    2.743300      -1.276600     -0.1864000    
 C   -1.644000     -0.8933000      0.8440000    
 C   -3.006800     -0.3075000      0.5405000    
 C  -0.9126000     -0.6880000     -0.4714000    
 C   -2.653400      0.8821000     -0.3417000    
 C   -2.343100       2.146300      0.4485000    
 C    1.395400      -1.596700     -0.3839000    
 C   0.9782000      0.7693000     -2.0300001E-02
 C    2.268500       1.067600      0.1676000    
 C    3.274600     -2.3499999E-02  8.5500002E-02
 H   -1.174700     -0.3330000       1.661700    
 H   -3.589800     -5.8499999E-02   1.430900    
 H   -1.081200      -1.525700      -1.158600    
 H   -3.425000       1.089700      -1.091800    
 H   -1.511600       2.020100       1.145900    
 H   -3.223800       2.457800       1.019800    
 H  -0.8049000      -2.579200       1.312500    
 H   -3.323000      -1.373900      -1.087300    
 H   0.2548000       1.567900      3.8800001E-02
 H    3.404100      -2.046100     -0.2489000    
 H   -1.838600       3.980000      6.3400000E-02


%chk=000091494-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000091494

0 1
Br 3.102776 3.013164 -0.444370
O -1.542842 0.563462 -1.194261
O -1.968417 -2.515653 0.575992
O -3.968380 -1.090814 -0.418704
O -1.574421 3.116951 -0.101556
O 0.802679 -2.558604 0.255500
O 4.533198 0.264282 0.450243
N 0.530447 -0.305673 -0.337002
N 2.643047 -1.102946 0.319185
C -1.711626 -1.091181 0.577800
C -3.064770 -0.338801 0.433646
C -0.908296 -0.620232 -0.678188
C -2.660737 0.965164 -0.280786
C -2.216216 2.066027 0.694736
C 1.302486 -1.399055 0.088820
C 1.059141 0.973307 -0.492396
C 2.385579 1.230989 -0.234737
C 3.305813 0.168706 0.196184
H -1.184464 -0.775463 1.500692
H -3.527509 -0.150996 1.424451
H -0.899152 -1.407381 -1.454295
H -3.457625 1.330998 -0.945902
H -1.511667 1.665660 1.456975
H -3.119350 2.444650 1.218674
H -1.074337 -2.960898 0.503774
H -3.740584 -2.053774 -0.292816
H 0.341140 1.733340 -0.821508
H 3.233493 -1.883647 0.626035
H -1.423004 3.917517 0.460313


