%chk=000055973.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055973

0 1
 Br  -1.598000      -2.996900      8.9999998E-04
 Cl  -4.288500      -1.012600     -3.9999999E-04
 F    3.764100      -1.255000     -1.2000001E-03
 F    3.804600      0.6285000      -1.086500    
 F    3.779600      0.6307000       1.093700    
 F   -3.738700       1.831700     -1.4000000E-03
 N    1.091100       1.224600     -6.0000003E-04
 N   0.9688000     -0.9946000      9.9999997E-05
 C  -0.2485000      0.9319000     -6.0000003E-04
 C  -0.2988000     -0.4593000     -1.9999999E-04
 C    1.776800      4.1800000E-02 -5.0000002E-04
 C   -1.386000       1.740000     -8.9999998E-04
 C   -1.549700      -1.099500       0.000000    
 C    3.251100      1.0900000E-02 -1.2000001E-03
 C   -2.622600       1.086300     -8.9999998E-04
 C   -2.705300     -0.3082000     -3.0000001E-04
 H    1.496700       2.151100     -1.0000000E-03
 H   -1.319400       2.821900     -1.2000001E-03


%chk=000055973-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000055973

0 1
Br -1.642092 -3.055912 -0.000495
Cl -4.380784 -1.039007 -0.001806
F 3.806178 -1.306676 0.002985
F 3.828011 0.669216 -1.130695
F 3.827240 0.670865 1.133404
F -3.784787 1.849763 -0.002024
N 1.120618 1.255099 0.000002
N 0.984827 -1.032298 0.000297
C -0.243824 0.959393 -0.000443
C -0.308286 -0.480185 -0.000224
C 1.799034 0.030202 0.000652
C -1.389418 1.777473 -0.001060
C -1.570279 -1.130453 -0.000621
C 3.293540 -0.012554 0.001548
C -2.609599 1.095084 -0.001390
C -2.727941 -0.328212 -0.001196
H 1.546683 2.181955 0.000145
H -1.371822 2.869547 -0.001281


