%chk=000042005.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042005

0 1
 Cl  -2.315200       3.279100      0.1755000    
 O    1.114600     -0.1389000      -2.289400    
 N    3.273400     -0.5865000     -0.4392000    
 N   -4.314500       1.063100      0.6536000    
 N   -4.565200      -2.513600      0.5438000    
 C    4.305100     -0.1127000      0.4892000    
 C    1.957700     -0.1435000     -1.0200000E-02
 C   0.8737000     -0.6395000     -0.9750000    
 C    5.671000     -0.5949000     -1.0700000E-02
 C    4.267300       1.418900      0.5203000    
 C    4.027600     -0.6752000       1.888300    
 C  -0.5033000     -0.1863000     -0.5416000    
 C   -1.482000      -1.135200     -0.3004000    
 C  -0.7553000       1.167000     -0.3968000    
 C   -2.751700     -0.7177000      9.7900003E-02
 C   -2.025300       1.584500      1.6000000E-03
 C   -3.023500      0.6421000      0.2488000    
 C   -3.754500      -1.710600      0.3444000    
 H    3.293100      -1.604800     -0.4916000    
 H    1.691400     -0.5126000      0.9852000    
 H    1.914100      0.9476000     -1.3000000E-03
 H   0.9069000      -1.734700      -1.036200    
 H    6.477400     -0.2539000      0.6485000    
 H    5.718700      -1.689500     -5.0600000E-02
 H    5.884200     -0.2147000      -1.016800    
 H    3.424700       1.827200       1.088300    
 H    4.250000       1.846700     -0.4894000    
 H    5.169000       1.807400       1.010600    
 H    4.895100     -0.5103000       2.539600    
 H    3.181800     -0.1974000       2.393500    
 H    3.852200      -1.757300       1.863900    
 H   -1.265700      -2.194300     -0.4194000    
 H   1.2900000E-02   1.906300     -0.6063000    
 H    2.017100     -0.4017000      -2.539000    
 H   -4.501700       2.051700      0.7597000    
 H   -5.049600      0.3944000      0.8362000    


%chk=000042005-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000042005

0 1
Cl -2.679885 3.371558 -0.693969
O 1.479357 0.374735 -1.986086
N 3.222375 -0.719324 -0.312791
N -4.404903 1.170109 0.497415
N -4.483603 -2.302290 1.310918
C 4.323667 -0.153988 0.547565
C 1.824042 -0.677367 0.182941
C 0.882244 -0.584081 -1.067581
C 5.649217 -0.472816 -0.185672
C 4.152237 1.380811 0.658217
C 4.337151 -0.797599 1.963383
C -0.522190 -0.145183 -0.688110
C -1.444104 -1.053735 -0.136228
C -0.914382 1.209556 -0.855968
C -2.738969 -0.631137 0.268531
C -2.188772 1.620597 -0.459887
C -3.150498 0.740294 0.115924
C -3.673508 -1.559204 0.832907
H 3.476293 -1.665851 -0.634035
H 1.536582 -1.542551 0.816841
H 1.689905 0.239808 0.781179
H 0.832006 -1.590729 -1.544182
H 6.509745 -0.069975 0.376475
H 5.796019 -1.565988 -0.287263
H 5.650294 -0.026839 -1.196055
H 3.227623 1.660293 1.194551
H 4.118221 1.839375 -0.345749
H 5.001422 1.815554 1.215430
H 5.155066 -0.378127 2.577513
H 3.387057 -0.610681 2.496407
H 4.486267 -1.892069 1.897197
H -1.181112 -2.110769 -0.017000
H -0.207611 1.903379 -1.319076
H 2.468906 0.270910 -1.788588
H -4.666710 2.144252 0.363096
H -5.077947 0.519272 0.896751


