%chk=000058527.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058527

0 1
 Br  -5.576600      -2.679600       1.061300    
 O   -1.706100      -1.070900      -1.819600    
 O  -0.6502000       2.800000      0.4492000    
 O   -3.186900       1.975400       1.306600    
 N  -0.8014000      0.8723000     -0.8949000    
 N   -2.819500      0.2140000     -0.2170000    
 C   0.4691000      0.8911000      -1.617600    
 C    1.645800      0.8321000     -0.6936000    
 C    2.215800     -0.3865000     -0.2906000    
 C   -1.765000     -0.1060000      -1.065900    
 C   -1.183700       1.800600      1.6600000E-02
 C   -4.036400     -0.5613000     -8.9599997E-02
 C   -2.553100       1.355800      0.4789000    
 C    3.327300     -0.3745000      0.5854000    
 C    2.164200       2.045100     -0.2394000    
 C    1.707000      -1.616800     -0.7377000    
 C    3.836000      0.8558000       1.032600    
 C    3.257200       2.057000      0.6220000    
 C   -3.905700      -1.686300      0.9174000    
 C    3.897300      -1.593100      0.9884000    
 C    2.285900      -2.818000     -0.3271000    
 C    3.379000      -2.806100      0.5344000    
 H   0.4938000       1.841100      -2.168800    
 H   0.4911000      0.1177000      -2.391200    
 H   -4.846200      0.1161000      0.2065000    
 H   -4.285300     -0.9698000      -1.076300    
 H    1.743400       2.994200     -0.5606000    
 H   0.8570000      -1.692600      -1.406300    
 H    4.690400      0.8890000       1.705500    
 H    3.663200       3.001700      0.9717000    
 H   -3.677100      -1.311100       1.919200    
 H   -3.135700      -2.407000      0.6271000    
 H    4.752100      -1.607700       1.661400    
 H    1.882700      -3.763100     -0.6791000    
 H    3.828900      -3.741600      0.8539000    


%chk=000058527-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000058527

0 1
Br -5.312870 -2.907008 1.317884
O -1.531790 -1.169667 -1.681050
O -0.902652 3.172574 0.009285
O -3.599094 2.062091 1.034886
N -0.838049 1.001403 -0.961038
N -2.856435 0.205000 -0.252990
C 0.489610 1.073939 -1.628942
C 1.667237 0.914032 -0.670335
C 2.189606 -0.385997 -0.309723
C -1.711401 -0.112907 -1.038319
C -1.395681 2.045703 -0.196250
C -3.993486 -0.714786 -0.071953
C -2.760436 1.496771 0.306406
C 3.322978 -0.450952 0.597104
C 2.257953 2.072091 -0.146740
C 1.647644 -1.621030 -0.806178
C 3.890984 0.760670 1.111715
C 3.368347 2.001129 0.747821
C -3.735408 -1.662616 1.112777
C 3.862563 -1.728763 0.961952
C 2.197753 -2.850120 -0.432238
C 3.314369 -2.909298 0.458670
H 0.541610 2.065151 -2.111384
H 0.483741 0.304222 -2.418448
H -4.893870 -0.104765 0.111358
H -4.128333 -1.291539 -1.001847
H 1.845715 3.050978 -0.415501
H 0.784041 -1.612815 -1.478392
H 4.745527 0.695624 1.795748
H 3.803052 2.925234 1.142531
H -3.653254 -1.124794 2.068697
H -2.863954 -2.312282 0.944211
H 4.719259 -1.761347 1.645726
H 1.768590 -3.778523 -0.824798
H 3.734431 -3.880403 0.742151


