%chk=000018327.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018327

0 1
 Br -3.0099999E-02   4.091500     -6.9999998E-04
 N    2.341000     -0.4485000      1.2200000E-02
 N   -2.348700     -0.4753000     -1.2300000E-02
 N  -3.7000000E-03 -0.4938000      7.9999998E-04
 N   -1.215500       1.577300     -6.0000001E-03
 N    1.184000       1.591200      6.3999998E-03
 C    2.449200      -1.880200      1.2700000E-02
 C   -2.411900      -1.903400     -1.2900000E-02
 C    1.133000      0.2394000      6.3000000E-03
 C   -1.130100      0.2373000     -5.4000001E-03
 C    3.896100      -2.327300     -1.9700000E-02
 C   -3.844200      -2.395400      1.8600000E-02
 C  -1.9200001E-02   2.187300     -9.9999997E-05
 H    1.970600      -2.291600      0.9091000    
 H    1.933000      -2.296300     -0.8605000    
 H   -1.921700      -2.302100     -0.9089000    
 H   -1.885500      -2.306000      0.8605000    
 H    3.183000      0.1161000      1.9200001E-02
 H   -3.197700      7.8299999E-02 -2.0199999E-02
 H    4.402300      -1.954300     -0.9164000    
 H    4.442600      -1.952100      0.8522000    
 H    3.960300      -3.419700     -1.9700000E-02
 H   -4.362400      -2.038700      0.9151000    
 H   -4.401700      -2.037500     -0.8536000    
 H   -3.874300      -3.489400      1.8500000E-02


%chk=000018327-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018327

0 1
Br -0.034169 4.126947 -0.000074
N 2.359735 -0.444813 0.010137
N -2.347299 -0.485999 -0.010276
N 0.007400 -0.562336 -0.000055
N -1.221356 1.562043 -0.005143
N 1.198758 1.583324 0.005302
C 2.516458 -1.909009 0.013990
C -2.480126 -1.952250 -0.014287
C 1.153923 0.191543 0.005182
C -1.152716 0.171038 -0.005228
C 4.006959 -2.285940 -0.019463
C -3.964400 -2.353596 0.018532
C -0.016402 2.157867 0.000261
H 2.026615 -2.328147 0.914142
H 1.984062 -2.334363 -0.858014
H -1.983192 -2.363495 -0.914213
H -1.941309 -2.369162 0.857885
H 3.182483 0.161094 0.015877
H -3.180107 0.106120 -0.016095
H 4.498196 -1.898746 -0.931155
H 4.541714 -1.888849 0.863215
H 4.118861 -3.383880 -0.015553
H -4.462221 -1.974130 0.929895
H -4.505078 -1.965266 -0.864434
H -4.058389 -3.453192 0.014773


