%chk=000178474.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178474

0 1
 Br  -4.010500       2.275100     -1.7000000E-03
 N   -2.656200     -0.3084000      5.0000002E-04
 N   -1.295800       1.448200      8.9999998E-04
 N    1.612200       1.196300      9.9999997E-05
 N    2.699800      -1.386100     -5.0000002E-04
 C   -1.387100     -0.8268000      5.0000002E-04
 C  -0.5547000      0.2870000      1.1000000E-03
 C   0.8392000      8.8399999E-02  3.9999999E-04
 C    1.366000      -1.214500     -9.9999997E-05
 C  -0.9074000      -2.134100     -9.9999997E-05
 C   0.4852000      -2.295700     -3.9999999E-04
 C   -2.549500       1.054300      7.9999998E-04
 C   -3.882000      -1.074600     -7.9999998E-04
 C    2.940300      0.9875000      9.9999997E-05
 C    3.473600     -0.2798000     -3.0000001E-04
 C    3.826800       2.183200     -6.0000003E-04
 H   -1.563000      -2.997000     -6.9999998E-04
 H   0.8852000      -3.308900     -1.0000000E-03
 H   -4.443800     -0.8237000     -0.9043000    
 H   -3.668400      -2.144500      7.4000000E-03
 H   -4.453000     -0.8127000      0.8938000    
 H    4.542600     -0.4591000     -6.0000003E-04
 H    4.463400       2.186200      0.8898000    
 H    4.460800       2.187200     -0.8929000    
 H    3.239900       3.107600      7.9999998E-04


%chk=000178474-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178474

0 1
Br -4.179717 2.191428 -0.000184
N -2.740354 -0.329581 0.000086
N -1.363867 1.514396 -0.000159
N 1.689352 1.279476 -0.000085
N 2.722044 -1.407356 -0.000370
C -1.420704 -0.818884 -0.000228
C -0.583748 0.341502 -0.000212
C 0.841041 0.187612 -0.000230
C 1.353758 -1.174527 -0.000388
C -0.915497 -2.149266 -0.000534
C 0.469372 -2.308932 -0.000560
C -2.618643 1.068508 -0.000004
C -3.981833 -1.112285 -0.000493
C 3.021344 1.028042 -0.000136
C 3.522322 -0.323287 -0.000253
C 3.964683 2.207815 -0.000192
H -1.577292 -3.021561 -0.000856
H 0.930495 -3.300911 -0.000788
H -4.579705 -0.896119 -0.902482
H -3.728780 -2.183420 0.008896
H -4.588232 -0.882739 0.892371
H 4.603113 -0.508753 -0.000243
H 4.622958 2.195845 0.888989
H 4.620874 2.197351 -0.890945
H 3.380615 3.140745 0.001199


