%chk=000051503.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051503

0 1
 Cl  0.8940000      -6.706400      0.6737000    
 O    5.601800      0.2919000     -0.1110000    
 O    5.779000       2.586900     -0.1359000    
 N   -1.294700      -3.508100     -0.4233000    
 N   -2.476600     -0.9141000     -0.2391000    
 N   -4.522700      0.2809000      3.3100002E-02
 N   -1.078900       1.514100     -0.4203000    
 N   -4.541700       2.690600      3.8699999E-02
 N   -2.523000       3.903800     -0.2267000    
 N   -6.528200       1.469400      0.2991000    
 N  -0.5011000       1.515800      0.6916000    
 C   -1.112100      -2.529700      -1.502300    
 C   -1.370000      -2.816800      0.8698000    
 C   -2.278200      -1.539200      -1.550300    
 C   -2.545400      -1.837100      0.9009000    
 C  -0.2024000      -4.480500     -0.4221000    
 C   -3.168700      0.2986000     -0.1459000    
 C  -0.4411000      -5.529700      0.6526000    
 C   -2.466500       1.502600     -0.2368000    
 C   -3.204400       2.664500     -0.1380000    
 C   -5.128500       1.480800      0.1148000    
 C   0.8922000       1.527000      0.5078000    
 C    1.567600       2.740300      0.4205000    
 C    1.585800      0.3245000      0.4157000    
 C    3.651300       1.548700      0.1463000    
 C    2.950800       2.751200      0.2393000    
 C    2.968800      0.3352000      0.2346000    
 C    5.093000       1.560200     -4.4799998E-02
 C    7.016200      0.1711000     -0.2972000    
 C    7.383800      -1.296500     -0.3448000    
 H  -0.1698000      -1.980800      -1.374100    
 H   -1.060700      -3.042800      -2.470300    
 H   -1.560000      -3.503300       1.698500    
 H  -0.4358000      -2.286000       1.088200    
 H   -3.200600      -2.051000      -1.852800    
 H   -2.061600     -0.7773000      -2.309000    
 H   -2.511300      -1.277800       1.844300    
 H   -3.497300      -2.382600      0.8733000    
 H   0.7652000      -3.985700     -0.2630000    
 H  -0.1558000      -4.979800      -1.398300    
 H  -0.4534000      -5.129100       1.666300    
 H   -1.370000      -6.081800      0.4786000    
 H   -1.552400       3.939100      5.9799999E-02
 H   -3.081200       4.744200     -0.1430000    
 H   -7.027800       2.345300      0.3668000    
 H   -7.013900      0.5855000      0.3627000    
 H    1.029700       3.681700      0.4930000    
 H    1.064000     -0.6244000      0.4829000    
 H    3.462800       3.707500      0.1729000    
 H    3.472200     -0.6251000      0.1672000    
 H    7.301900      0.6565000      -1.236900    
 H    7.535300      0.6575000      0.5359000    
 H    6.856400      -1.799500      -1.162000    
 H    7.086100      -1.798400      0.5818000    
 H    8.460400      -1.425700     -0.4865000    


%chk=000051503-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051503

0 1
Cl -1.854201 -7.595371 2.540593
O 6.311496 1.689613 -0.600906
O 6.435285 -0.010172 0.991586
N -2.090767 -3.835365 0.813345
N -2.739177 -1.155033 -0.037803
N -4.323726 0.546150 -0.137124
N -0.654461 1.182849 -0.755987
N -3.928760 2.706835 -1.223837
N -1.787202 3.291673 -1.932902
N -5.998284 2.159816 -0.302144
N 0.020533 0.229189 -0.128503
C -1.077689 -2.994867 0.127552
C -3.019521 -2.987049 1.598148
C -1.761717 -1.971888 -0.792346
C -3.739624 -1.977335 0.686941
C -1.528585 -4.967961 1.584187
C -3.020779 0.163838 -0.335244
C -2.482468 -6.164765 1.466927
C -2.037795 1.133446 -0.825298
C -2.613535 2.380366 -1.339683
C -4.698781 1.791591 -0.549969
C 1.433397 0.445436 -0.101196
C 2.163353 -0.409907 0.772899
C 2.144320 1.400404 -0.888303
C 4.264141 0.648697 0.091985
C 3.559536 -0.305746 0.873606
C 3.541015 1.498122 -0.791242
C 5.742817 0.713210 0.228920
C 7.796374 1.816525 -0.522241
C 8.198824 2.910020 -1.506621
H -0.437667 -2.433835 0.849220
H -0.426883 -3.645782 -0.483974
H -3.779861 -3.625247 2.084121
H -2.477110 -2.429579 2.402299
H -2.311370 -2.509061 -1.594637
H -0.994713 -1.327604 -1.238851
H -4.387658 -1.305922 1.268569
H -4.376820 -2.520963 -0.040513
H -1.361850 -4.719160 2.657439
H -0.547629 -5.247779 1.160764
H -3.492442 -5.941741 1.841455
H -2.528652 -6.551227 0.439493
H -0.787342 3.089282 -1.931094
H -2.168468 4.188318 -2.225079
H -6.320879 3.070431 -0.618590
H -6.620282 1.505667 0.164831
H 1.604954 -1.138267 1.369960
H 1.584312 2.044492 -1.572135
H 4.129969 -0.952216 1.548368
H 4.093098 2.224048 -1.395176
H 8.070294 2.062144 0.520009
H 8.243762 0.836700 -0.769970
H 7.725199 3.871449 -1.243660
H 7.900885 2.643885 -2.535328
H 9.295633 3.045846 -1.486561


