%chk=000173506.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173506

0 1
 Br   5.108200      -2.586300     -0.4465000    
 Br   4.829300       3.044800      0.1226000    
 N  -0.2710000      9.4200000E-02 -0.5399000    
 N    2.033700      -2.370600      0.1795000    
 C   -1.704600      4.2500000E-02 -0.2590000    
 C   -3.552900      -1.335200      0.7782000    
 C   -3.636400       1.181500      0.9076000    
 C   -4.009000      1.9600000E-02  -1.299100    
 C   -2.042600      -1.266700      0.4873000    
 C   -2.125700       1.243100      0.6165000    
 C   -2.497600      8.4500000E-02  -1.584800    
 C   -3.956700     -0.1301000       1.644600    
 C   -4.327000      -1.285800     -0.5502000    
 C   -4.410000       1.217500     -0.4214000    
 C   0.4975000     -1.1100000E-02  0.7002000    
 C   6.7800000E-02   1.328800      -1.247400    
 C    1.972400      4.1900001E-02  0.4126000    
 C    2.694800      -1.119500      0.1641000    
 C    2.600100       1.282600      0.4026000    
 C    4.062600      -1.039800     -9.8099999E-02
 C    3.967900       1.362600      0.1405000    
 C    4.699200      0.2014000     -0.1099000    
 H   -3.786900      -2.266200       1.306800    
 H   -3.929900       2.035300       1.528700    
 H   -4.566500      4.8500001E-02  -2.242200    
 H   -1.554800      -1.349100       1.463100    
 H   -1.738600      -2.140400     -0.1038000    
 H   -1.929200       2.205500      0.1308000    
 H   -1.622300       1.263100       1.588100    
 H   -2.207800     -0.7515000      -2.235000    
 H   -2.349300       1.003900      -2.157500    
 H   -5.028300     -0.1775000       1.874600    
 H   -3.424500     -0.1616000       2.603200    
 H   -4.059300      -2.148900      -1.171900    
 H   -5.404900      -1.353900     -0.3579000    
 H   -5.489300       1.193200     -0.2263000    
 H   -4.203800       2.156300     -0.9501000    
 H   0.3110000     -0.9175000       1.278000    
 H   0.2940000      0.8074000       1.400500    
 H   2.6300000E-02   2.232500     -0.6304000    
 H  -0.5190000       1.510600      -2.148900    
 H    1.076300       1.258900      -1.671100    
 H    2.040400       2.189400      0.6179000    
 H    2.572800      -3.205400     -1.3400000E-02
 H    1.026200      -2.436700      0.1827000    
 H    5.765700      0.2668000     -0.3144000    


%chk=000173506-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000173506

0 1
Br 4.625457 -2.744267 -1.109933
Br 5.699016 2.306444 1.562613
N -0.259646 0.284006 -0.531741
N 1.617338 -1.757785 -0.729885
C -1.736802 0.132578 -0.200674
C -3.443544 -1.359866 0.999611
C -3.836202 1.140739 0.862103
C -4.052055 -0.301789 -1.208728
C -1.939551 -1.139731 0.680628
C -2.328775 1.366673 0.554354
C -2.546520 -0.072273 -1.515014
C -3.999136 -0.120669 1.752027
C -4.226939 -1.561273 -0.322441
C -4.614647 0.940199 -0.465101
C 0.607000 0.580874 0.655006
C 0.058981 1.219803 -1.642883
C 2.096864 0.338329 0.420328
C 2.547859 -0.873901 -0.215386
C 3.033627 1.262831 0.924917
C 3.956364 -1.092052 -0.267396
C 4.416129 1.001147 0.842787
C 4.896419 -0.183648 0.251873
H -3.545822 -2.260014 1.636916
H -4.233706 2.026528 1.396120
H -4.592166 -0.439069 -2.166122
H -1.386509 -1.052210 1.635404
H -1.527753 -2.017859 0.145046
H -2.205515 2.281032 -0.060640
H -1.782937 1.531216 1.503969
H -2.126912 -0.934794 -2.071265
H -2.456546 0.818388 -2.164798
H -5.068314 -0.274892 1.999331
H -3.459380 0.017036 2.710726
H -3.851615 -2.458390 -0.854275
H -5.301067 -1.730988 -0.109184
H -5.693566 0.800188 -0.255039
H -4.519130 1.841932 -1.102964
H 0.277976 -0.077051 1.480265
H 0.478429 1.630954 1.004092
H -0.284871 2.263028 -1.455905
H -0.378883 0.867458 -2.589241
H 1.154601 1.244936 -1.771204
H 2.676611 2.184159 1.396859
H 1.926835 -2.606714 -1.199041
H 0.660754 -1.365404 -0.842419
H 5.966552 -0.393240 0.187805


