%chk=000022454.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022454

0 1
 Cl  -6.293500       1.014300     -0.1392000    
 O    1.222600      -1.738100     -0.1986000    
 N    5.223000      0.3276000     -0.1333000    
 N  -0.1501000      -1.716400     -0.4136000    
 C    3.029900     -0.4350000      0.7046000    
 C    3.799400      0.2144000     -0.4483000    
 C    1.569200     -0.5843000      0.3966000    
 C   0.5042000      0.2175000      0.5960000    
 C  -0.5570000     -0.5388000      6.9200002E-02
 C    5.421200       1.183600       1.035800    
 C    5.960600      0.8523000      -1.281900    
 C   -1.944600     -0.1633000      1.7400000E-02
 C   -2.297300       1.181000     -8.6599998E-02
 C   -2.932800      -1.144500      7.2899997E-02
 C   -3.642900       1.545200     -0.1353000    
 C   -4.278400     -0.7801000      2.4200000E-02
 C   -4.633400      0.5647000     -7.9800002E-02
 H    3.092900      0.1628000       1.620500    
 H    3.453500      -1.420700      0.9356000    
 H    3.365600       1.195300     -0.6869000    
 H    3.671900     -0.4104000      -1.342400    
 H   0.4918000       1.195200       1.055200    
 H    5.092200      0.6975000       1.959000    
 H    4.916200       2.151500      0.9378000    
 H    6.489800       1.381000       1.186300    
 H    5.629600       1.859100      -1.561600    
 H    5.840200      0.1956000      -2.150800    
 H    7.034400      0.8896000      -1.066600    
 H   -1.548500       1.967000     -0.1416000    
 H   -2.687500      -2.200000      0.1628000    
 H   -3.905200       2.596800     -0.2185000    
 H   -5.039700      -1.554600      7.0299998E-02


%chk=000022454-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000022454

0 1
Cl -6.672536 0.658023 -0.083454
O 1.315074 -1.362928 -0.335412
N 5.344709 0.329031 -0.024024
N -0.122571 -1.430115 -0.589795
C 3.012284 -0.010233 0.845920
C 3.916272 0.234273 -0.394594
C 1.580415 -0.247257 0.478227
C 0.387489 0.396769 0.750092
C -0.642310 -0.361388 0.077390
C 5.685473 1.575369 0.691339
C 6.237550 0.098078 -1.179614
C -2.096621 -0.111370 0.042011
C -2.658626 1.017514 0.694420
C -2.962237 -1.003026 -0.650653
C -4.048654 1.258260 0.660998
C -4.351176 -0.775178 -0.692705
C -4.875678 0.355855 -0.034078
H 3.049180 0.851499 1.535066
H 3.421757 -0.884535 1.385860
H 3.555759 1.145093 -0.939536
H 3.795003 -0.623514 -1.080097
H 0.263506 1.290423 1.355698
H 5.098675 1.662356 1.622049
H 5.506064 2.496525 0.079124
H 6.752857 1.555684 0.973718
H 6.151153 0.881395 -1.974848
H 6.009891 -0.881128 -1.636292
H 7.287460 0.077942 -0.836262
H -2.016308 1.721045 1.234123
H -2.534469 -1.875261 -1.154269
H -4.477873 2.128975 1.164367
H -5.014212 -1.462376 -1.225567


