%chk=000097232.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097232

0 1
 Br  -2.820900      -2.811200      0.5615000    
 N    1.367100      1.3100000E-02 -2.2000000E-03
 N   -1.511000      1.8500000E-02 -3.8999999E-03
 N   -2.957400       2.422100     -0.4829000    
 N   -5.741300      5.5700000E-02 -1.1100000E-02
 C   0.6124000     -0.8390000     -0.9210000    
 C   0.6146000      0.8678000      0.9160000    
 C  -0.7572000     -0.2293000      -1.232600    
 C  -0.7577000      0.2634000       1.226000    
 C    2.759500      1.1100000E-02 -2.0000001E-03
 C   -2.903300      2.2200000E-02 -4.8000002E-03
 C   -3.629700       1.209800     -0.2423000    
 C    3.494400      -1.144300     -0.3575000    
 C    3.497300       1.164800      0.3534000    
 C   -3.658700      -1.148500      0.2296000    
 C    4.889300      -1.146200     -0.3574000    
 C    4.892200       1.162900      0.3533000    
 C    5.588200      7.4000000E-03 -2.0999999E-03
 C   -5.014800       1.173600     -0.2349000    
 C   -5.042500      -1.079000      0.2160000    
 C    7.079500      5.1000002E-03 -1.0000000E-03
 H   0.4875000      -1.832400     -0.4729000    
 H    1.148100     -0.9623000      -1.870300    
 H   0.4927000       1.861500      0.4673000    
 H    1.149800      0.9896000       1.865700    
 H  -0.6327000      0.7172000      -1.772800    
 H   -1.306400     -0.9120000      -1.892100    
 H  -0.6360000     -0.6811000       1.769600    
 H   -1.305400      0.9507000       1.882000    
 H    2.982400      -2.065400     -0.6270000    
 H    2.987800       2.087000      0.6237000    
 H    5.420400      -2.053900     -0.6313000    
 H    5.425800       2.068000      0.6312000    
 H   -5.605500       2.067300     -0.4132000    
 H   -5.659400      -1.955300      0.3914000    
 H   -1.946600       2.449100     -0.4818000    
 H   -3.482900       3.269200     -0.6529000    
 H    7.453900     -0.2979000      0.9819000    
 H    7.474100     -0.6847000     -0.7549000    
 H    7.476400      0.9982000     -0.2371000    


%chk=000097232-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097232

0 1
Br -2.622920 -2.806096 0.277302
N 1.373010 0.015766 -0.002163
N -1.519193 0.294194 -0.192649
N -3.138845 2.519336 -0.316792
N -5.792280 -0.054808 0.077672
C 0.577429 -0.986883 -0.735260
C 0.638892 1.025414 0.781767
C -0.734152 -0.372016 -1.269108
C -0.793913 0.551583 1.076877
C 2.778453 -0.005115 -0.001257
C -2.933713 0.107099 -0.099771
C -3.757580 1.290217 -0.163038
C 3.515375 -1.125125 -0.495977
C 3.529261 1.104541 0.497876
C -3.620717 -1.120452 0.070265
C 4.924616 -1.119561 -0.495964
C 4.938292 1.083905 0.496387
C 5.673027 -0.023146 0.002311
C -5.172009 1.144799 -0.061726
C -5.031338 -1.183894 0.139925
C 7.192152 -0.045879 0.032425
H 0.347417 -1.874476 -0.107325
H 1.156611 -1.338107 -1.608397
H 0.600744 2.006350 0.253679
H 1.156966 1.191780 1.747073
H -0.483669 0.366311 -2.058401
H -1.333824 -1.171702 -1.740579
H -0.758712 -0.353564 1.723462
H -1.327851 1.339940 1.640265
H 2.993610 -2.016242 -0.858629
H 3.016134 2.000225 0.861569
H 5.454826 -1.999139 -0.883310
H 5.479219 1.958240 0.881037
H -5.823927 2.025875 -0.109291
H -5.553615 -2.136940 0.261072
H -2.136824 2.508311 -0.512867
H -3.679233 3.371532 -0.432942
H 7.574002 -0.469912 0.982418
H 7.604339 -0.660535 -0.787986
H 7.613940 0.970974 -0.063354


