%chk=000038539.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038539

0 1
 Br   2.317000       2.039800       1.569800    
 Cl  -5.052200      -1.384800       1.032600    
 N  -0.8662000       1.369300     -0.2408000    
 C   -1.532500      8.7700002E-02 -0.4698000    
 C   0.4251000       1.403800     -0.9264000    
 C   -2.839700      2.0300001E-02  0.3183000    
 C    1.324000      0.2790000     -0.4863000    
 C   -1.713300       2.473300     -0.6906000    
 C   -3.541000      -1.314200      9.7000003E-02
 C    2.195600      0.4230000      0.5858000    
 C    1.254700     -0.9171000      -1.190700    
 C    3.010900     -0.6453000      0.9596000    
 C    2.069800      -1.985400     -0.8168000    
 C    2.947900      -1.849500      0.2584000    
 H   -1.724700     -8.7099999E-02  -1.536400    
 H  -0.9452000     -0.7486000     -8.2500003E-02
 H   0.9193000       2.371700     -0.7867000    
 H   0.2804000       1.335900      -2.015400    
 H   -2.639900      0.1650000       1.387900    
 H   -3.538000      0.8037000      4.9999999E-03
 H   -2.562700       2.636900     -2.0700000E-02
 H   -2.080100       2.332400      -1.713900    
 H   -1.154800       3.417200     -0.6666000    
 H   -2.913300      -2.149900      0.4208000    
 H   -3.795800      -1.457400     -0.9575000    
 H   0.5910000      -1.038200      -2.042500    
 H    3.701500     -0.5583000       1.794600    
 H    2.023800      -2.921800      -1.365200    
 H    3.583300      -2.681100      0.5489000    


%chk=000038539-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000038539

0 1
Br 1.793330 1.975908 1.683209
Cl -5.017701 -1.457046 1.498651
N -0.900309 1.327889 -0.444824
C -1.771424 0.156824 -0.680334
C 0.383977 1.256241 -1.186384
C -2.884049 0.018685 0.388384
C 1.322445 0.196367 -0.626758
C -1.578290 2.627495 -0.608686
C -3.603734 -1.322703 0.244719
C 1.998081 0.336577 0.612182
C 1.561822 -0.998060 -1.356988
C 2.855000 -0.661508 1.120329
C 2.416104 -2.012198 -0.871285
C 3.060950 -1.844738 0.374044
H -2.236824 0.185565 -1.702686
H -1.131544 -0.745551 -0.643572
H 0.863551 2.248948 -1.099684
H 0.230603 1.060322 -2.278298
H -2.422079 0.097668 1.388528
H -3.623942 0.834139 0.295660
H -2.443092 2.695031 0.072266
H -1.944172 2.810883 -1.651205
H -0.880703 3.439807 -0.338730
H -2.948113 -2.180517 0.460593
H -4.083362 -1.446483 -0.739301
H 1.064905 -1.120181 -2.327566
H 3.359542 -0.516007 2.079982
H 2.577848 -2.921903 -1.459089
H 3.726080 -2.621156 0.766742


