%chk=000058269.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058269

0 1
 Br  -2.279200       2.957700      0.3463000    
 O    1.714400      -2.809900      0.3020000    
 N   -2.951000     -8.9699998E-02  0.6940000    
 N   -5.016300     -0.5491000     -0.4663000    
 C    1.127300      0.6333000      9.1100000E-02
 C    2.560900      0.5624000     -9.2600003E-02
 C   0.6205000     -0.6659000      0.2678000    
 C    2.967400     -0.7819000     -3.3300001E-02
 C    1.760400      -1.604000      0.1958000    
 C   0.2628000       1.713200      0.1146000    
 C  -0.7180000     -0.9362000      0.4683000    
 C    3.504100       1.553000     -0.3006000    
 C    4.280400      -1.183300     -0.1729000    
 C   -1.585600      0.1559000      0.4912000    
 C   -1.100900       1.466500      0.3162000    
 C    4.844200       1.172500     -0.4458000    
 C    5.227600     -0.1809000     -0.3826000    
 C   -3.661000     -0.2875000     -0.3740000    
 C   -5.847900     -0.6329000      0.7260000    
 C   -5.710100     -0.4933000      -1.745300    
 H   -1.075400      -1.951100      0.6024000    
 H   0.6369000       2.723600     -2.0300001E-02
 H    3.227500       2.600800     -0.3522000    
 H    4.570700      -2.225900     -0.1234000    
 H    5.602500       1.934000     -0.6100000    
 H    6.275400     -0.4453000     -0.4988000    
 H   -3.191800     -0.2401000      -1.374900    
 H   -6.783200      -1.166300      0.5266000    
 H   -6.093100      0.3722000       1.083900    
 H   -5.330900      -1.172800       1.526400    
 H   -6.599100      -1.132500      -1.744000    
 H   -5.064300     -0.8376000      -2.560000    
 H   -6.020200      0.5345000      -1.958600    


%chk=000058269-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000058269

0 1
Br -2.087561 3.332016 0.754859
O 1.453321 -2.743384 -0.693113
N -3.059393 0.421762 0.187402
N -5.103432 -0.576515 -0.438394
C 1.192975 0.766517 0.098062
C 2.664672 0.581915 0.028045
C 0.563064 -0.484182 -0.170791
C 2.931171 -0.787503 -0.284356
C 1.624505 -1.521704 -0.422385
C 0.402431 1.893149 0.381533
C -0.826033 -0.628589 -0.161780
C 3.730393 1.481062 0.209226
C 4.240617 -1.271548 -0.419216
C -1.665448 0.504394 0.109854
C -1.004120 1.746463 0.383611
C 5.058761 0.994031 0.073949
C 5.316343 -0.363726 -0.236091
C -3.754902 -0.366512 -0.603865
C -5.836132 0.053617 0.670642
C -5.872309 -1.394021 -1.383488
H -1.275216 -1.614123 -0.328709
H 0.846158 2.869892 0.595492
H 3.553263 2.535148 0.449303
H 4.416788 -2.325585 -0.658518
H 5.900178 1.682437 0.212552
H 6.350428 -0.711000 -0.333273
H -3.325072 -0.893566 -1.476955
H -6.259264 -0.714778 1.345952
H -6.663549 0.676628 0.280601
H -5.131218 0.687508 1.229631
H -6.380120 -2.226013 -0.858556
H -5.202578 -1.823437 -2.147382
H -6.643721 -0.786951 -1.896842


