%chk=000112816.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112816

0 1
 Cl   5.779700      0.8006000      0.1557000    
 O   -2.026200       3.037900      0.4756000    
 O    2.574000       5.178900      -1.726200    
 O    2.497800       5.249600      0.5444000    
 N   -4.889100     -0.6897000      0.1175000    
 N  -0.4815000       1.272800      0.6279000    
 N   0.6385000      -1.336500      0.7467000    
 N    1.192100      -1.387200     -0.3757000    
 N    1.661800      -4.965600     -0.3330000    
 C   -3.496600     -0.8465000      0.2763000    
 C   -5.662000      -1.681600     -0.6033000    
 C   -5.567800      0.4585000      0.6849000    
 C   -2.674800      0.2763000      0.3736000    
 C   -1.297500      0.1210000      0.5304000    
 C   -2.941100      -2.124600      0.3356000    
 C  -0.7421000      -1.157100      0.5897000    
 C   -5.173500      -1.784800      -2.035400    
 C   -6.223400       1.273200     -0.4136000    
 C   -1.563800      -2.280000      0.4923000    
 C  -0.8842000       2.601600      0.5877000    
 C   0.2939000       3.551500      0.7255000    
 C   0.8794000       3.900100     -0.6372000    
 C    2.053300       4.840600     -0.5203000    
 C    2.577000      -1.566900     -0.2178000    
 C    3.138500      -2.842300     -0.1576000    
 C    3.393600     -0.4402000     -0.1208000    
 C    4.516400      -2.991300     -6.0000003E-04
 C    4.771500     -0.5890000      3.6100000E-02
 C    5.333000      -1.864500      9.6299998E-02
 C    2.322900      -4.015000     -0.2545000    
 H   -5.619800      -2.658400     -0.1085000    
 H   -6.727400      -1.423800     -0.6113000    
 H   -6.351500      9.7599998E-02   1.363600    
 H   -4.933200       1.097000       1.308000    
 H   -3.135700       1.244300      0.2650000    
 H   -3.544100      -3.025400      0.2836000    
 H   -5.192200     -0.8087000      -2.532200    
 H   -4.156900      -2.180000      -2.113800    
 H   -5.825100      -2.459000      -2.601400    
 H   -5.486200       1.600000      -1.154700    
 H   -7.007900      0.7219000     -0.9397000    
 H   -6.688500       2.167800      1.3700000E-02
 H   -1.141800      -3.280400      0.5427000    
 H   0.5128000       1.082600      0.7321000    
 H    1.057700       3.106800       1.375100    
 H  -5.7900000E-02   4.455600       1.237400    
 H   0.1143000       4.377400      -1.259700    
 H    1.219500       2.989400      -1.143100    
 H    2.952600      0.5534000     -0.1692000    
 H    4.970200      -3.978400      4.8200000E-02
 H    6.405100      -1.995500      0.2183000    
 H    3.339100       5.786400      -1.637200    


%chk=000112816-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000112816

0 1
Cl 5.453931 -5.476321 -1.172198
O -1.853588 2.858898 0.806177
O 1.145759 6.993362 1.223142
O 1.580368 5.432923 2.883504
N -4.831373 -0.775515 -0.154389
N -0.324303 1.115240 0.425872
N 0.794829 -1.269331 -0.226253
N 1.344855 -2.433422 -0.539031
N 2.884682 1.176319 0.144368
C -3.449533 -0.914062 -0.201460
C -5.731704 -1.882934 -0.557927
C -5.458824 0.517988 0.218734
C -2.597929 0.190007 0.117927
C -1.198141 0.054287 0.110209
C -2.838555 -2.175571 -0.557399
C -0.595093 -1.216514 -0.235262
C -5.882445 -2.052511 -2.088509
C -5.533743 1.547593 -0.933135
C -1.455988 -2.309560 -0.564219
C -0.658538 2.424259 0.780594
C 0.529983 3.298117 1.185876
C 0.250494 4.783064 0.895265
C 1.058819 5.706436 1.779350
C 2.760821 -2.427212 -0.540478
C 3.631526 -1.297597 -0.327285
C 3.348359 -3.697921 -0.800831
C 5.041889 -1.481749 -0.377023
C 4.740700 -3.836124 -0.839419
C 5.611447 -2.743671 -0.630397
C 3.150611 0.028779 -0.071493
H -5.377678 -2.827067 -0.103758
H -6.721692 -1.678579 -0.113350
H -6.478391 0.294695 0.581245
H -4.908805 0.950829 1.073772
H -2.996865 1.171584 0.366835
H -3.454598 -3.038420 -0.820979
H -6.315889 -1.147496 -2.547917
H -4.907753 -2.244335 -2.569166
H -6.550589 -2.904912 -2.310434
H -4.529251 1.794649 -1.315593
H -6.142463 1.167370 -1.772121
H -5.995622 2.482597 -0.567387
H -0.983998 -3.261273 -0.825566
H 0.678189 0.876438 0.376601
H 1.461778 2.950745 0.708787
H 0.679963 3.175667 2.278168
H -0.824196 4.984758 1.082613
H 0.433349 5.042850 -0.161434
H 2.678880 -4.545799 -0.965414
H 5.694687 -0.618020 -0.215023
H 6.695737 -2.875068 -0.666728
H 1.648792 7.581933 1.849642


