%chk=000035106.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000035106

0 1
 Br -0.5962000       3.991200     -0.3876000    
 N   -1.770500     -0.9796000     -6.3999998E-03
 N   0.5095000     -0.4358000      6.5399997E-02
 N    2.774300      0.1694000      0.1294000    
 N   -1.154300       1.276500     -0.1745000    
 N    1.171100       1.864400     -0.1051000    
 C   -1.442900      -2.392400      0.1361000    
 C   -3.176400     -0.6069000     -9.9399999E-02
 C  -0.7679000     -1.0400000E-02 -3.9500002E-02
 C   -1.032800      -2.971200      -1.204300    
 C   -3.684400     -0.1437000       1.252500    
 C    1.419200      0.5512000      2.5000000E-02
 C    3.187700      -1.191500      0.2721000    
 C  -0.1371000       2.152600     -0.1995000    
 C    4.700700      -1.273900      0.3357000    
 H  -0.6502000      -2.544000      0.8788000    
 H   -2.310500      -2.947900      0.5133000    
 H   -3.332700      0.1716000     -0.8559000    
 H   -3.775400      -1.464100     -0.4306000    
 H   -1.829000      -2.847600      -1.946400    
 H  -0.1322000      -2.491500      -1.599900    
 H  -0.8256000      -4.041500      -1.105800    
 H   -3.558000     -0.9254000       2.009300    
 H   -3.157200      0.7483000       1.604900    
 H   -4.750000      9.9399999E-02   1.192300    
 H    2.767900      -1.624300       1.187500    
 H    2.835000      -1.789700     -0.5762000    
 H    3.458000      0.9172000      0.1003000    
 H    5.155900     -0.8687000     -0.5745000    
 H    5.090700     -0.7048000       1.186400    
 H    5.022500      -2.314300      0.4445000    


%chk=000035106-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000035106

0 1
Br -0.535246 4.083554 -0.363671
N -1.753941 -0.943082 0.000043
N 0.554331 -0.451606 0.067316
N 2.817965 0.191881 0.137086
N -1.115019 1.323784 -0.151271
N 1.236313 1.897801 -0.086014
C -1.448266 -2.383301 0.160314
C -3.172156 -0.532150 -0.135242
C -0.748740 -0.015258 -0.026883
C -1.233693 -3.096678 -1.191748
C -3.835868 -0.235247 1.225458
C 1.499683 0.532416 0.039979
C 3.300679 -1.191331 0.277370
C -0.074366 2.171433 -0.175941
C 4.836890 -1.217689 0.327832
H -0.538945 -2.475050 0.776173
H -2.290304 -2.841481 0.711984
H -3.209947 0.368547 -0.768376
H -3.703005 -1.349381 -0.658876
H -2.118285 -2.995994 -1.846772
H -0.361507 -2.666042 -1.712248
H -1.047349 -4.174569 -1.031101
H -3.779340 -1.105575 1.905043
H -3.339634 0.623177 1.709037
H -4.902230 0.018079 1.081524
H 2.872109 -1.638305 1.195167
H 2.926477 -1.796351 -0.570505
H 3.481164 0.968307 0.107664
H 5.276133 -0.802326 -0.597781
H 5.220952 -0.638814 1.187952
H 5.194342 -2.256148 0.434389


