%chk=000149702.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149702

0 1
 Br   3.995000      -4.141300      0.5676000    
 C  -0.6831000      0.1449000     -6.7800000E-02
 C   0.1536000     -0.9791000     -0.2397000    
 C  -0.1193000       1.443700      4.6599999E-02
 C   -2.092100     -5.0200000E-02 -1.2200000E-02
 C    1.539300     -0.8071000     -0.2968000    
 C    1.308800       1.604000     -1.3800000E-02
 C    2.124600      0.4584000     -0.1872000    
 C   -2.643100      -1.349800     -0.1273000    
 C   -2.955700       1.053200      0.1585000    
 C    2.419300      -2.016900     -0.4812000    
 C  -0.4079000      -2.258400     -0.3519000    
 C   -1.022800       2.517700      0.2162000    
 C   -1.788000      -2.442300     -0.2964000    
 C   -2.406400       2.329900      0.2711000    
 C    1.977300       2.850700      8.9199997E-02
 C    3.523900      0.5800000     -0.2506000    
 C   -4.033800      -1.523200     -7.0400000E-02
 C   -4.343100      0.8521000      0.2121000    
 C   -4.877700     -0.4286000      9.8300003E-02
 C    2.819100      -2.617100      0.8563000    
 C    3.369000       2.958000      2.4800001E-02
 C    4.143000       1.821400     -0.1455000    
 H    3.299000      -1.793500      -1.094800    
 H    1.950300      -2.770700      -1.123300    
 H   0.1707000      -3.169500     -0.4554000    
 H  -0.6689000       3.541200      0.3112000    
 H   -2.186800      -3.451200     -0.3807000    
 H   -3.046000       3.200200      0.4034000    
 H    1.423400       3.776200      0.2241000    
 H    4.204600     -0.2581000     -0.3495000    
 H   -4.473000      -2.514900     -0.1572000    
 H   -5.020600       1.693200      0.3432000    
 H    3.377400      -1.915600       1.482900    
 H    1.961700      -2.991900       1.422400    
 H   -5.953200     -0.5738000      0.1410000    
 H    3.842000       3.932000      0.1099000    
 H    5.225200       1.898700     -0.1889000    


%chk=000149702-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000149702

0 1
Br 4.138448 -4.267047 0.615148
C -0.689028 0.123028 -0.086952
C 0.174022 -1.038811 -0.269165
C -0.122160 1.436235 0.020452
C -2.120466 -0.050182 -0.019163
C 1.581613 -0.879810 -0.344549
C 1.320516 1.599130 -0.027395
C 2.167479 0.433749 -0.207336
C -2.708613 -1.363599 -0.114973
C -2.986692 1.090241 0.149298
C 2.487026 -2.094417 -0.539734
C -0.461769 -2.345282 -0.354256
C -1.015253 2.557554 0.186638
C -1.829539 -2.500996 -0.281073
C -2.389439 2.395684 0.246928
C 1.943189 2.884166 0.100105
C 3.594036 0.627063 -0.228058
C -4.116297 -1.512647 -0.044104
C -4.398169 0.901643 0.214909
C -4.955556 -0.385910 0.119043
C 2.897894 -2.660993 0.830671
C 3.330420 3.036586 0.067747
C 4.166066 1.891796 -0.094879
H 3.390522 -1.829854 -1.112253
H 1.983212 -2.879980 -1.124560
H 0.160863 -3.235878 -0.477279
H -0.605367 3.567327 0.267200
H -2.275945 -3.500011 -0.348985
H -3.043588 3.266308 0.372275
H 1.325111 3.776157 0.231270
H 4.256188 -0.235034 -0.349156
H -4.551069 -2.516207 -0.117395
H -5.046073 1.776543 0.342278
H 3.472330 -1.941534 1.433131
H 2.041057 -3.042895 1.405601
H -6.041457 -0.518070 0.171350
H 3.777141 4.031326 0.169979
H 5.255048 2.006922 -0.114556


