%chk=000053872.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053872

0 1
 Cl  -1.813600       2.721400      0.2680000    
 O   0.6994000      3.5799999E-02  -1.344300    
 N  -0.4565000      5.2000001E-02  0.7031000    
 N    3.107300      0.1584000     -0.1602000    
 C   -1.800500     -9.8000001E-03  0.3159000    
 C   -2.411800      -1.253800      0.1594000    
 C    1.946300      0.1443000      0.7183000    
 C   0.6805000      7.3299997E-02 -0.1182000    
 C   -2.527600       1.158200      8.6999997E-02
 C   -3.750200      -1.329700     -0.2260000    
 C   -1.660200      -2.523600      0.3972000    
 C    4.342300      0.2367000      0.6086000    
 C   -3.866000       1.082400     -0.2986000    
 C   -4.477400     -0.1617000     -0.4550000    
 C    5.501300      0.2605000     -0.3316000    
 C    6.486700     -0.6443000     -0.3234000    
 H    1.969000     -0.7242000       1.386800    
 H    1.905300       1.059800       1.319800    
 H  -0.3125000      0.1548000       1.705300    
 H   -4.242200      -2.290400     -0.3535000    
 H    3.110300     -0.6984000     -0.7150000    
 H   -1.227700      -2.533700       1.403300    
 H   -2.309600      -3.402400      0.3181000    
 H  -0.8608000      -2.638400     -0.3421000    
 H    4.362300       1.158600       1.201600    
 H    4.418200     -0.6094000       1.302500    
 H   -4.447000       1.982800     -0.4811000    
 H   -5.519400     -0.2207000     -0.7554000    
 H    5.551100       1.072300      -1.053700    
 H    7.307500     -0.5685000      -1.028200    
 H    6.493800      -1.470400      0.3790000    


%chk=000053872-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053872

0 1
Cl -2.013096 2.864117 0.523112
O 0.697396 -0.968563 -0.823854
N -0.500774 0.270508 0.774720
N 3.083054 0.159768 0.035337
C -1.832218 0.069784 0.298553
C -2.371487 -1.229746 0.046514
C 1.951109 0.149925 0.961139
C 0.669000 -0.232358 0.203342
C -2.678064 1.198451 0.132209
C -3.707034 -1.322138 -0.421412
C -1.572822 -2.487602 0.311282
C 4.415504 0.071322 0.659972
C -4.005541 1.101691 -0.309552
C -4.516465 -0.181848 -0.605979
C 5.505121 0.230974 -0.379461
C 6.539446 -0.629355 -0.550150
H 2.064729 -0.598100 1.791041
H 1.833476 1.140540 1.449955
H -0.380736 1.046200 1.434048
H -4.120187 -2.316445 -0.623753
H 2.937662 -0.504260 -0.737536
H -1.022221 -2.418279 1.267848
H -2.236926 -3.367062 0.355064
H -0.816142 -2.644085 -0.478304
H 4.498982 0.900107 1.395439
H 4.574794 -0.877309 1.232522
H -4.615955 2.000885 -0.427159
H -5.546099 -0.285320 -0.962968
H 5.408774 1.118794 -1.020446
H 7.309409 -0.457898 -1.310661
H 6.645615 -1.530798 0.066739


