%chk=000002451.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002451

0 1
 Br  8.0300003E-02   4.871900      8.6099997E-02
 Cl  -1.371500      -1.382100      -2.246500    
 S    1.942300       2.317000     -0.2569000    
 N    2.265600     -0.3079000      4.6900000E-02
 N  -0.2993000      -1.615200       1.155000    
 N    3.094200      -2.327800      0.3730000    
 N    3.959800      -1.635500     -0.4371000    
 C    1.381000      0.7615000      0.1157000    
 C   4.2199999E-02  0.7064000      0.4579000    
 C    2.103600      -1.519500      0.6853000    
 C  -0.7464000     -0.5176000      0.6520000    
 C    1.042900      -1.747600       1.694800    
 C    3.473300     -0.4259000     -0.5953000    
 C   -2.166200     -0.5011000      0.2108000    
 C  -0.4844000       2.048500      0.5094000    
 C   0.4371000       3.008800      0.1529000    
 C    4.121100      0.5969000      -1.442500    
 C   -2.538100     -0.8761000      -1.077700    
 C   -3.129800     -9.7099997E-02   1.131500    
 C   -3.882700     -0.8470000      -1.447900    
 C   -4.474400     -6.7900002E-02  0.7611000    
 C   -4.850800     -0.4428000     -0.5285000    
 H    1.147600      -2.764400       2.090800    
 H    1.178300      -1.077100       2.552600    
 H   -1.507000       2.292400      0.7700000    
 H    4.533300       1.416900     -0.8480000    
 H    4.972400      0.1469000      -1.967800    
 H    3.453000      0.9727000      -2.222500    
 H   -2.850100      0.1952000       2.140400    
 H   -4.192800      -1.135900      -2.448900    
 H   -5.228200      0.2462000       1.477000    
 H   -5.897700     -0.4202000     -0.8166000    


%chk=000002451-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002451

0 1
Br 0.149935 5.019733 -0.125068
Cl -1.285792 0.263020 -2.407898
S 2.136100 2.482200 -0.148129
N 2.324302 -0.309094 0.168838
N -0.312431 -1.425644 1.432634
N 3.075343 -2.334680 0.828337
N 3.894908 -1.866893 -0.249998
C 1.486950 0.815095 0.157603
C 0.113654 0.822560 0.418188
C 2.150351 -1.394166 1.063460
C -0.699653 -0.396109 0.708655
C 1.041753 -1.393890 2.069202
C 3.433871 -0.659400 -0.634304
C -2.116664 -0.433918 0.211060
C -0.456767 2.153697 0.357047
C 0.463516 3.136778 0.073709
C 3.990674 0.158733 -1.753718
C -2.518633 -0.128783 -1.113613
C -3.135138 -0.828985 1.122692
C -3.865909 -0.181329 -1.521531
C -4.488838 -0.884933 0.737384
C -4.857760 -0.551818 -0.586643
H 1.146508 -2.294477 2.691950
H 1.132363 -0.495290 2.719145
H -1.518710 2.349367 0.515150
H 4.488891 1.079064 -1.397574
H 4.741138 -0.454109 -2.276529
H 3.208005 0.454609 -2.475238
H -2.826795 -1.098985 2.137365
H -4.129547 0.049382 -2.557608
H -5.250755 -1.188516 1.462358
H -5.906272 -0.590624 -0.899928


