%chk=000019022.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019022

0 1
 Br  -11.20030     -0.6320000     -8.6999997E-02
 C   0.6756000      0.4344000      7.5999998E-02
 C  -0.6292000     -0.3682000      0.1004000    
 C    1.968600     -0.3872000      0.1053000    
 C   -1.885300      0.5042000      4.0899999E-02
 C    3.237600      0.4651000      2.3300000E-02
 C   -3.152700     -0.3538000      3.3599999E-02
 C    4.493500     -0.4092000      6.9399998E-02
 C   -4.444100      0.4672000     -3.5500001E-02
 C    5.798500      0.3928000      2.2200000E-02
 C   -5.747200     -0.3380000      2.2000000E-03
 C    7.050900     -0.4879000     -8.2000000E-03
 C   -7.037700      0.4877000      1.1800000E-02
 C    8.355800      0.3142000     -5.4900002E-02
 C   -8.344000     -0.3160000     -3.1099999E-02
 C    9.608300     -0.5611000     -0.1144000    
 C   -9.622900      0.5066000     -7.1400002E-02
 C    10.87460      0.2813000     -8.2500003E-02
 H   0.6815000       1.059800     -0.8259000    
 H   0.6795000       1.124600      0.9292000    
 H  -0.6311000      -1.064000     -0.7478000    
 H  -0.6534000     -0.9797000       1.010800    
 H    1.987900     -0.9835000       1.025900    
 H    1.956500      -1.097300     -0.7309000    
 H   -1.858700       1.126100     -0.8618000    
 H   -1.903100       1.182800      0.9019000    
 H    3.255400       1.177400      0.8568000    
 H    3.230000       1.050500     -0.9038000    
 H   -3.173800     -0.9743000      0.9381000    
 H   -3.123800      -1.041200     -0.8208000    
 H    4.482200      -1.015500      0.9837000    
 H    4.473200      -1.109700     -0.7748000    
 H   -4.451700       1.176200      0.8021000    
 H   -4.431500       1.071800     -0.9511000    
 H    5.843500       1.057500      0.8936000    
 H    5.792400       1.035700     -0.8666000    
 H   -5.739600     -0.9807000      0.8913000    
 H   -5.764800      -1.010600     -0.8646000    
 H    7.058100      -1.135100      0.8773000    
 H    7.004600      -1.148200     -0.8830000    
 H   -7.044000       1.122600      0.9065000    
 H   -7.021900       1.167600     -0.8494000    
 H    8.338800      0.9780000     -0.9282000    
 H    8.406000      0.9593000      0.8312000    
 H   -8.368500     -0.9799000      0.8429000    
 H   -8.316600     -0.9758000     -0.9082000    
 H    9.616800      -1.254600      0.7344000    
 H    9.595200      -1.165700      -1.028400    
 H   -9.674400       1.123400     -0.9728000    
 H   -9.713100       1.148800      0.8091000    
 H    10.90990      0.9686000     -0.9338000    
 H    10.93110      0.8707000      0.8383000    
 H    11.75860     -0.3622000     -0.1284000    


%chk=000019022-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000019022

0 1
Br -11.333485 -0.540885 0.025144
C 0.660414 0.424681 -0.001339
C -0.640453 -0.409435 0.015576
C 1.942601 -0.437883 0.012229
C -1.921406 0.454858 0.002040
C 3.242627 0.397443 -0.006169
C -3.223247 -0.377601 0.019373
C 4.525939 -0.463342 0.007648
C -4.502260 0.489755 0.003715
C 5.824886 0.373645 -0.012921
C -5.803836 -0.343030 0.020804
C 7.109221 -0.485911 0.002403
C -7.080920 0.529179 0.002137
C 8.407806 0.351671 -0.019523
C -8.377190 -0.323102 0.021165
C 9.692468 -0.508217 -0.002516
C -9.620539 0.566704 -0.001425
C 10.984440 0.337153 -0.026455
H 0.666539 1.075112 -0.901134
H 0.669132 1.107126 0.874375
H -0.649323 -1.091555 -0.860363
H -0.646626 -1.060077 0.915184
H 1.937501 -1.087765 0.912429
H 1.933883 -1.120877 -0.863073
H -1.914464 1.105134 -0.897896
H -1.911398 1.137456 0.877652
H 3.250929 1.080915 0.868826
H 3.247442 1.047156 -0.906573
H -3.231050 -1.026613 0.920026
H -3.232701 -1.060853 -0.855568
H 4.522387 -1.112007 0.908760
H 4.517463 -1.147678 -0.866638
H -4.491795 1.172669 0.878870
H -4.493179 1.138487 -0.897136
H 5.832740 1.058952 0.860615
H 5.828734 1.021437 -0.914676
H -5.814768 -0.989402 0.922695
H -5.814228 -1.026305 -0.853448
H 7.106042 -1.133016 0.904694
H 7.101352 -1.171800 -0.870722
H -7.070002 1.212021 0.876746
H -7.070315 1.173088 -0.901554
H 8.412997 0.997954 -0.922407
H 8.416797 1.038473 0.852878
H -8.390698 -0.959861 0.925873
H -8.388966 -1.002234 -0.852202
H 9.686610 -1.152545 0.900496
H 9.681819 -1.195161 -0.873468
H -9.698303 1.168290 -0.920636
H -9.699073 1.213182 0.886708
H 11.027674 0.967824 -0.934659
H 11.033076 1.010374 0.850357
H 11.887908 -0.300085 -0.014016


