%chk=000052300.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052300

0 1
 Br  -3.685100      -3.881200       1.015900    
 N   0.3022000      0.3459000     -0.3784000    
 N    3.467400      -1.532200      0.1777000    
 N  -0.5268000       2.558200     -0.6857000    
 C    1.206400     -0.5909000      0.2310000    
 C    2.554400     -0.5946000     -0.4750000    
 C  -0.6753000     -0.1484000      -1.353800    
 C    4.792700      -1.467000     -0.4373000    
 C   0.3433000       1.716400     -7.1400002E-02
 C   -1.985100     -0.5067000     -0.7034000    
 C    2.937900      -2.893600      0.1077000    
 C    5.774100      -2.385500      0.2609000    
 C    1.285800       2.141700      0.8590000    
 C   -2.183900      -1.796800     -0.2322000    
 C   -2.974500      0.4589000     -0.5835000    
 C   -3.397000      -2.128100      0.3712000    
 C   -4.187700      0.1277000      1.9700000E-02
 C    1.338000       3.495100       1.174100    
 C   -4.398900      -1.165800      0.4973000    
 C  -0.4463000       3.866400     -0.3541000    
 C   0.4588000       4.380500      0.5605000    
 H    1.299900     -0.4425000       1.314100    
 H   0.7419000      -1.577300      0.1452000    
 H    2.420400     -0.8472000      -1.536000    
 H    2.993300      0.4094000     -0.4538000    
 H  -0.2730000      -1.034100      -1.865300    
 H  -0.8355000      0.5715000      -2.167700    
 H    4.757100      -1.710300      -1.506900    
 H    5.176400     -0.4427000     -0.3516000    
 H    2.017600      -3.011000      0.6872000    
 H    3.606600      -3.624600      0.5723000    
 H    2.748800      -3.215100     -0.9233000    
 H    5.727400      -2.280400       1.350200    
 H    5.627000      -3.437500     -2.3000001E-03
 H    6.794900      -2.130000     -4.5800000E-02
 H    1.992900       1.498100       1.366400    
 H   -1.403900      -2.546400     -0.3366000    
 H   -2.840700       1.464100     -0.9683000    
 H   -4.969900      0.8755000      0.1131000    
 H    2.061900       3.860200       1.896400    
 H   -5.350500      -1.407800      0.9636000    
 H   -1.153800       4.514800     -0.8602000    
 H   0.4813000       5.439300      0.7908000    


%chk=000052300-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052300

0 1
Br -3.957708 -4.308874 -0.808802
N 0.230966 0.604025 -0.416906
N 3.240648 -1.667416 0.210892
N -0.412444 2.831586 -0.855330
C 1.055288 -0.419761 0.245886
C 2.369455 -0.719408 -0.522947
C -0.818539 0.138565 -1.349383
C 4.658987 -1.577873 -0.232552
C 0.453636 1.967805 -0.223411
C -1.991360 -0.538133 -0.644141
C 2.720817 -3.052521 0.173282
C 5.637695 -2.314488 0.700702
C 1.523213 2.460568 0.596860
C -2.364472 -1.862347 -0.983248
C -2.729397 0.157081 0.348496
C -3.461314 -2.462378 -0.331543
C -3.823611 -0.461611 0.987331
C 1.667370 3.849152 0.757089
C -4.204252 -1.785132 0.653722
C -0.240085 4.170197 -0.689514
C 0.776075 4.739630 0.106524
H 1.308227 -0.114660 1.277036
H 0.439035 -1.332205 0.333016
H 2.116825 -1.081603 -1.553518
H 2.921888 0.230426 -0.646490
H -0.371694 -0.559975 -2.084389
H -1.171314 1.035547 -1.887947
H 4.785494 -1.959604 -1.279801
H 4.927255 -0.504368 -0.250057
H 1.690867 -3.087329 0.566392
H 3.334662 -3.706134 0.814216
H 2.713916 -3.482867 -0.861132
H 5.489939 -1.984224 1.744136
H 5.512162 -3.411032 0.662149
H 6.679654 -2.091703 0.406456
H 2.221667 1.780179 1.090262
H -1.806101 -2.413370 -1.747830
H -2.441228 1.181629 0.606830
H -4.394921 0.080252 1.748941
H 2.478389 4.237091 1.383670
H -5.051713 -2.267937 1.148377
H -0.959428 4.804905 -1.221234
H 0.865951 5.824312 0.209609


