%chk=000171613.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000171613

0 1
 Br  0.1028000       4.905700     -0.1040000    
 Cl  -1.245400      -1.446300      -2.220500    
 S    2.034500       2.409200     -0.4876000    
 N    2.465800     -0.1955000     -0.1451000    
 N   9.9999998E-03  -1.563900       1.124300    
 N    3.380700      -2.178000      0.1792000    
 N    4.178400      -1.475300     -0.6897000    
 C   0.2320000      0.7512000      0.3601000    
 C    1.548600      0.8444000     -5.2900001E-02
 C  -0.5013000     -0.4943000      0.6221000    
 C    2.380200      -1.396800      0.5267000    
 C    1.382200      -1.637700       1.595300    
 C   -1.941900     -0.5371000      0.2564000    
 C  -0.3386000       2.075100      0.4098000    
 C    3.642000     -0.2870000     -0.8476000    
 C   0.5284000       3.057900     -1.5500000E-02
 C   -2.366600     -0.9536000      -1.002600    
 C   -2.869800     -0.1452000       1.217900    
 C   -3.728700     -0.9779000      -1.302500    
 C   -4.231900     -0.1694000      0.9182000    
 C   -4.661300     -0.5856000     -0.3421000    
 H    1.543400      -2.640700       2.007000    
 H    1.538100     -0.9431000       2.430200    
 H   -1.354400       2.289900      0.7182000    
 H    4.040400      0.5029000      -1.469000    
 H   -2.548500      0.1793000       2.204300    
 H   -4.080000      -1.299500      -2.279600    
 H   -4.958100      0.1355000       1.666000    
 H   -5.721800     -0.6044000     -0.5754000    


%chk=000171613-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000171613

0 1
Br 0.226433 4.933063 -0.678882
Cl -1.314434 0.045629 -2.437445
S 2.244806 2.419862 -0.639130
N 2.499637 -0.320423 -0.114254
N -0.016994 -1.401232 1.388622
N 3.367248 -2.283153 0.590450
N 4.112628 -1.833958 -0.551423
C 0.295413 0.798759 0.226805
C 1.644332 0.789323 -0.133787
C -0.473787 -0.409266 0.652759
C 2.417407 -1.364519 0.835800
C 1.381008 -1.337935 1.917263
C -1.927075 -0.482248 0.277893
C -0.297995 2.115290 0.095024
C 3.571931 -0.669617 -0.947456
C 0.581012 3.077260 -0.348348
C -2.436955 -0.262073 -1.026154
C -2.864235 -0.821404 1.293081
C -3.812659 -0.341746 -1.317956
C -4.244614 -0.903341 1.024041
C -4.722316 -0.653753 -0.283385
H 1.540792 -2.213956 2.562870
H 1.513240 -0.416269 2.526536
H -1.346794 2.316547 0.319757
H 3.890814 -0.080736 -1.803520
H -2.472491 -1.026863 2.294000
H -4.161679 -0.178102 -2.341403
H -4.942825 -1.161992 1.826405
H -5.792651 -0.713347 -0.506564


