%chk=000102034.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102034

0 1
 Br  -4.742500       1.742700       2.387900    
 Br   4.744700       1.739400      -2.390100    
 N   -3.649000     -0.8935000      6.9999998E-04
 N    3.648900     -0.8936000     -3.0000001E-04
 C   -1.479900      -2.037800     -0.1363000    
 C    1.479700      -2.037700      0.1362000    
 C  -0.7123000      -3.300000      0.2765000    
 C  -0.7123000     -0.7747000      0.2745000    
 C   0.7122000      -3.300400     -0.2752000    
 C   0.7125000     -0.7753000     -0.2770000    
 C   -2.882200      -2.037600      0.4690000    
 C    2.882600      -2.038300     -0.4678000    
 C   -4.984200     -0.8848000      0.5843000    
 C    4.984700     -0.8856000     -0.5827000    
 C   -5.790700      0.2997000      0.1223000    
 C    5.790800      0.2995000     -0.1215000    
 C   -5.775800       1.503500      0.8156000    
 C    5.776400       1.502300     -0.8165000    
 C   -6.557000      0.1508000      -1.027600    
 C    6.555900      0.1523000       1.029300    
 C   -6.538700       2.575400      0.3521000    
 C    6.538800       2.574900     -0.3537000    
 C   -7.320000       1.222800      -1.490800    
 C    7.318400       1.224900       1.491800    
 C   -7.310900       2.435000     -0.8010000    
 C    7.309800       2.436100      0.8003000    
 H   -1.569900      -2.044600      -1.232100    
 H    1.569000      -2.043000       1.232100    
 H  -0.6751000      -3.374400       1.370900    
 H   -1.237800      -4.192300     -8.4299996E-02
 H   -1.220600      0.1260000     -8.9000002E-02
 H  -0.6743000     -0.6983000       1.368900    
 H   0.6751000      -3.376100      -1.369500    
 H    1.237700      -4.192200      8.6700000E-02
 H    1.220900      0.1259000      8.4799998E-02
 H   0.6746000     -0.7010000      -1.371500    
 H   -3.394500      -2.967100      0.1903000    
 H   -2.808300      -2.019000       1.563700    
 H    3.394600      -2.967500     -0.1875000    
 H    2.809700      -2.021100      -1.562600    
 H   -3.717100     -0.9237000      -1.016600    
 H    3.716000     -0.9224000       1.017100    
 H   -5.516300      -1.801700      0.2932000    
 H   -4.943300     -0.9300000       1.678300    
 H    5.516600      -1.802100     -0.2898000    
 H    4.944900     -0.9323000      -1.676600    
 H   -6.572300     -0.7864000      -1.577000    
 H    6.570700     -0.7842000       1.580200    
 H   -6.544400       3.527800      0.8762000    
 H    6.544800       3.526600     -0.8791000    
 H   -7.920600       1.113800      -2.389100    
 H    7.918200       1.117300       2.390900    
 H   -7.904900       3.269500      -1.162000    
 H    7.903400       3.271100       1.160700    


%chk=000102034-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000102034

0 1
Br -4.038094 1.928672 1.885391
Br 4.038283 1.927367 -1.887184
N -3.754590 -1.080197 -0.015085
N 3.754491 -1.080070 0.015772
C -1.502663 -2.157088 -0.085920
C 1.502635 -2.157041 0.087299
C -0.712997 -3.432661 0.302050
C -0.706703 -0.889853 0.312027
C 0.712974 -3.432843 -0.299928
C 0.706678 -0.890042 -0.311405
C -2.920019 -2.170407 0.529040
C 2.920002 -2.170707 -0.527627
C -5.081197 -0.917044 0.612696
C 5.081155 -0.917341 -0.612004
C -5.768834 0.337792 0.098691
C 5.768690 0.337913 -0.098888
C -5.423932 1.648108 0.516414
C 5.423866 1.647895 -0.517724
C -6.799308 0.222517 -0.871996
C 6.798982 0.223422 0.872087
C -6.057352 2.795403 -0.004715
C 6.057184 2.795610 0.002605
C -7.445888 1.355492 -1.412873
C 7.445453 1.356831 1.412182
C -7.071703 2.646266 -0.978613
C 7.071347 2.647257 0.976817
H -1.610752 -2.155374 -1.195848
H 1.610708 -2.154674 1.197228
H -0.641767 -3.487635 1.409547
H -1.262639 -4.337402 -0.028210
H -1.275232 0.011011 0.017664
H -0.620109 -0.860521 1.420075
H 0.641751 -3.488468 -1.407393
H 1.262610 -4.337390 0.030870
H 1.275213 0.010996 -0.017583
H 0.620085 -0.861367 -1.419470
H -3.377968 -3.182928 0.377344
H -2.841709 -2.019275 1.625639
H 3.378006 -3.183096 -0.375223
H 2.841705 -2.020332 -1.624331
H -3.811848 -1.102875 -1.042027
H 3.811652 -1.101993 1.042736
H -5.761584 -1.790217 0.447017
H -4.920769 -0.839648 1.705510
H 5.761557 -1.790362 -0.445586
H 4.920827 -0.840801 -1.704891
H -7.091790 -0.782629 -1.200238
H 7.091407 -0.781461 1.201187
H -5.766456 3.790014 0.345745
H 5.766355 3.789939 -0.348713
H -8.235135 1.231979 -2.161992
H 8.234557 1.233922 2.161550
H -7.563329 3.536309 -1.385687
H 7.562893 3.537627 1.383272


