%chk=000035992.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000035992

0 1
 Br -0.5303000      -2.310600       1.317000    
 N   -2.619100     -0.6771000     -0.4054000    
 C   3.2000002E-02  0.4568000      0.4735000    
 C    1.451300      -1.386000     -0.5522000    
 C    1.750200      0.9957000      -1.332600    
 C    2.522100      0.3260000      0.9658000    
 C   5.0600000E-02  -1.010000     -2.8800000E-02
 C   0.3694000       1.353200     -0.7542000    
 C    1.137900      0.6821000       1.535600    
 C    1.762000     -0.4820000      -1.761800    
 C    2.533000      -1.144200      0.5205000    
 C    2.817000       1.219100     -0.2497000    
 C   -1.335400      0.8839000       1.026000    
 C   -2.474500      0.7166000      1.5000000E-02
 C   -3.792800       1.184700      0.6298000    
 C   -3.673400     -0.8082000      -1.398500    
 H    1.481300      -2.435700     -0.8684000    
 H    1.965000       1.632800      -2.198000    
 H    3.288500      0.4855000       1.732700    
 H  -0.5843000      -1.183500     -0.8965000    
 H   0.3524000       2.413300     -0.4699000    
 H  -0.3603000       1.228500      -1.561300    
 H   0.9433000      8.5000001E-02   2.434500    
 H    1.139200       1.731100       1.860100    
 H    1.025300     -0.6477000      -2.557500    
 H    2.742200     -0.7414000      -2.180800    
 H    3.519500      -1.401000      0.1139000    
 H    2.380100      -1.798100       1.386200    
 H    3.812200      0.9908000     -0.6509000    
 H    2.830600       2.273300      5.3100001E-02
 H   -1.284400       1.941200       1.322400    
 H   -1.567900      0.3400000       1.950300    
 H   -2.287900       1.355500     -0.8542000    
 H   -3.669700       2.174600       1.084900    
 H   -4.139700      0.5070000       1.418600    
 H   -4.589700       1.290300     -0.1134000    
 H   -2.830000      -1.269500      0.3973000    
 H   -4.675300     -0.7252000     -0.9672000    
 H   -3.608400      -1.806400      -1.844500    
 H   -3.562500     -8.8600002E-02  -2.216500    


%chk=000035992-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000035992

0 1
Br -0.325148 -2.473275 1.497145
N -2.792499 -0.571870 -0.570497
C 0.038432 0.361688 0.444253
C 1.622687 -1.430376 -0.491562
C 1.765213 0.944186 -1.379957
C 2.553403 0.417735 0.969227
C 0.192081 -1.113136 -0.013240
C 0.334738 1.209904 -0.845066
C 1.126498 0.701139 1.509109
C 1.881473 -0.554880 -1.759124
C 2.675164 -1.082391 0.592351
C 2.811529 1.291304 -0.287246
C -1.361770 0.722512 1.018997
C -2.583064 0.757088 0.062723
C -3.822369 1.296249 0.834394
C -3.856910 -0.659152 -1.587581
H 1.687493 -2.500529 -0.761496
H 1.941312 1.569035 -2.278111
H 3.295502 0.663759 1.754182
H -0.584469 -1.358786 -0.755753
H 0.209429 2.282054 -0.589587
H -0.407910 0.965472 -1.628597
H 0.939007 0.110647 2.427124
H 1.035407 1.771983 1.783973
H 1.153667 -0.806937 -2.555717
H 2.892677 -0.781221 -2.150973
H 3.689731 -1.298625 0.202517
H 2.521859 -1.718689 1.483907
H 3.835758 1.113222 -0.672348
H 2.743147 2.366516 -0.024810
H -1.277650 1.733618 1.468258
H -1.588018 0.031852 1.857108
H -2.373299 1.466543 -0.765025
H -3.641070 2.322351 1.206499
H -4.050280 0.653074 1.706377
H -4.718003 1.329023 0.187905
H -2.854178 -1.319311 0.135972
H -4.890520 -0.465154 -1.215480
H -3.846744 -1.666395 -2.041717
H -3.652807 0.071574 -2.393236


