%chk=000130549.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130549

0 1
 Br   3.949800      -3.226200     -0.8201000    
 N   -1.995100     -0.2824000       2.168300    
 N   0.1860000      0.1926000      0.8476000    
 C   -1.714200     -0.9625000     -0.1126000    
 C   -1.282800      0.1354000      0.9354000    
 C   -2.753100      -1.823900      0.6117000    
 C  -0.4115000      -1.669000     -0.3755000    
 C   -3.233500     -0.9304000       1.739800    
 C   -2.275500     -0.3371000      -1.393400    
 C   0.6380000     -0.9450000      0.2036000    
 C   0.9970000       1.051800       1.670300    
 C   -2.245700      0.8215000       3.083900    
 C  -0.1900000      -2.842100      -1.082800    
 C   -1.374900      0.7469000      -1.901400    
 C    1.941500      -1.401400      7.0799999E-02
 C    1.120100      -3.300200      -1.209300    
 C    2.179500      -2.584200     -0.6364000    
 C    1.584300       2.127900      0.8108000    
 C   -1.657600       2.056700      -2.035200    
 C    2.887300       2.399700      0.6055000    
 C  -0.7064000       3.098000      -2.553200    
 C   -3.009900       2.589300      -1.642500    
 C    3.412900       3.499100     -0.2735000    
 C    3.953800       1.585400       1.288200    
 H   -1.681400       1.115600      0.6482000    
 H   -2.303900      -2.734400       1.029700    
 H   -3.579400      -2.136100     -3.5900000E-02
 H   -3.966600     -0.2037000       1.367200    
 H   -3.692000      -1.514900       2.543600    
 H   -2.368500      -1.098500      -2.179100    
 H   -3.294400      1.9900000E-02  -1.220200    
 H   0.3832000       1.569000       2.411000    
 H    1.708800      0.4658000       2.253000    
 H   -1.319900       1.200100       3.520900    
 H   -2.854100      0.4789000       3.929100    
 H   -2.776700       1.652100       2.605500    
 H   -1.011300      -3.392000      -1.529500    
 H  -0.3890000      0.4250000      -2.234000    
 H    2.769100     -0.8591000      0.5126000    
 H    1.305400      -4.219000      -1.760200    
 H   0.8567000       2.761400      0.3043000    
 H   -1.122700       3.586900      -3.439700    
 H  -0.5163000       3.858200      -1.788700    
 H   0.2571000       2.659400      -2.833300    
 H   -3.496000       2.023500     -0.8446000    
 H   -3.671100       2.619700      -2.514400    
 H   -2.915400       3.611700      -1.258300    
 H    4.050200       3.085000      -1.061400    
 H    2.599900       4.051000     -0.7570000    
 H    3.999100       4.212700      0.3140000    
 H    4.690100       2.257400       1.744800    
 H    3.612400      0.9330000       2.090900    
 H    4.479600      0.9698000      0.5506000    


%chk=000130549-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000130549

0 1
Br 4.098674 -3.042391 -0.821478
N -2.044048 -0.447009 2.294639
N 0.096201 0.096883 1.124424
C -1.759917 -0.930421 -0.068615
C -1.378966 0.090008 1.076527
C -2.824438 -1.877116 0.585338
C -0.422682 -1.607991 -0.363282
C -3.289825 -1.106524 1.837499
C -2.352762 -0.212012 -1.327542
C 0.616064 -0.945208 0.354240
C 0.897153 1.190585 1.702698
C -2.195041 0.489700 3.415954
C -0.124751 -2.691767 -1.197192
C -1.449593 0.852578 -1.914805
C 1.965750 -1.357639 0.232634
C 1.221442 -3.133467 -1.338684
C 2.224340 -2.449444 -0.623039
C 1.624218 2.010052 0.646808
C -1.739497 2.165059 -2.153762
C 2.957325 2.286615 0.569617
C -0.695273 3.090174 -2.761499
C -3.073955 2.830218 -1.861016
C 3.509135 3.119300 -0.576781
C 4.003959 1.813772 1.564093
H -1.735740 1.127047 0.853295
H -2.352337 -2.826642 0.887504
H -3.656027 -2.101490 -0.106239
H -4.092378 -0.369395 1.572813
H -3.688476 -1.766959 2.628623
H -2.536558 -0.996823 -2.091975
H -3.342847 0.203326 -1.059265
H 0.192644 1.844818 2.250450
H 1.601860 0.789257 2.456985
H -1.203929 0.801494 3.788811
H -2.716590 -0.013893 4.249263
H -2.776235 1.410812 3.151449
H -0.917596 -3.206712 -1.752694
H -0.441722 0.497581 -2.178803
H 2.773997 -0.858163 0.770237
H 1.472267 -3.975714 -1.987919
H 0.964550 2.393740 -0.145934
H -1.058501 3.532154 -3.710778
H -0.473321 3.939997 -2.083960
H 0.249472 2.558972 -2.971185
H -3.798963 2.156575 -1.376044
H -3.535369 3.204452 -2.796702
H -2.934433 3.712964 -1.205438
H 4.255840 2.542252 -1.157830
H 2.713052 3.444686 -1.268783
H 4.030044 4.021811 -0.199650
H 4.501749 2.678532 2.045593
H 3.596216 1.176914 2.366389
H 4.798714 1.242754 1.044111


