%chk=000019981.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019981

0 1
 Cl   5.299900       2.629200      0.2199000    
 N  -0.7250000     -0.3824000     -0.1456000    
 N   -1.276000      0.3196000      -1.006800    
 N    1.109300      -2.280900       2.541500    
 N   -1.275900      -3.957700     -0.7088000    
 C   0.5541000     -0.9378000     -0.6634000    
 C    1.733800     -5.2099999E-02 -0.4433000    
 C   0.7305000      -2.370000     -6.8099998E-02
 C    1.808200      0.7382000      0.7034000    
 C    2.762200     -1.3500000E-02  -1.385100    
 C    2.911000       1.567300      0.9086000    
 C    3.865000      0.8156000      -1.179900    
 C    3.939500       1.606000     -3.3000000E-02
 C   -2.476700      0.8207000     -0.4766000    
 C   0.9406000      -2.320800       1.393900    
 C  -0.3944000      -3.258200     -0.4251000    
 C   -2.478800       2.037500      0.1989000    
 C   -3.655400      9.6699998E-02 -0.6297000    
 C   -3.670500       2.534800      0.7262000    
 C   -4.847000      0.5943000     -0.1025000    
 C   -4.854500       1.813300      0.5754000    
 H   0.4382000      -1.071600      -1.751900    
 H    1.639200      -2.803900     -0.5088000    
 H    1.021500      0.7280000       1.452700    
 H    2.718500     -0.6257000      -2.282000    
 H    2.955500       2.178000       1.806700    
 H    4.659100      0.8351000      -1.922000    
 H   -1.560700       2.606300      0.3206000    
 H   -3.658600     -0.8537000      -1.156700    
 H   -3.676500       3.484000       1.254000    
 H   -5.769100      3.2600001E-02 -0.2197000    
 H   -5.782400       2.200600      0.9860000    


%chk=000019981-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000019981

0 1
Cl 5.690841 2.034942 1.233195
N -0.610444 -0.242778 -0.185351
N -1.411503 0.410420 -0.968435
N 0.715315 -3.047072 1.827846
N -1.268976 -3.481914 -2.101352
C 0.610848 -0.709803 -0.912388
C 1.855276 -0.023035 -0.360783
C 0.688805 -2.283306 -0.732941
C 2.011342 0.222407 1.027948
C 2.878891 0.380014 -1.253906
C 3.177275 0.849004 1.518170
C 4.052677 1.004117 -0.777285
C 4.182597 1.226978 0.607136
C -2.613689 0.902831 -0.347520
C 0.686516 -2.699205 0.688740
C -0.401686 -2.957334 -1.474822
C -3.468756 1.636672 -1.208186
C -2.966917 0.692719 1.014775
C -4.678164 2.166788 -0.711331
C -4.175532 1.223375 1.500895
C -5.032263 1.960933 0.642473
H 0.516008 -0.514245 -1.999953
H 1.654141 -2.606976 -1.173196
H 1.219647 -0.065464 1.725370
H 2.762702 0.217178 -2.332139
H 3.299891 1.039152 2.588131
H 4.842401 1.315385 -1.466641
H -3.165739 1.773532 -2.251298
H -2.294420 0.116491 1.657799
H -5.340989 2.733516 -1.373295
H -4.459384 1.064904 2.546928
H -5.972112 2.369274 1.030220


