%chk=000016598.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016598

0 1
 Cl   3.616000       1.246300      -1.838800    
 O   0.6156000     -1.3400000E-02  0.3452000    
 O   0.7750000      0.8264000      -1.819100    
 O   -1.936200      -3.178600      0.6634000    
 O   0.1210000      -2.412600      0.6479000    
 O   -5.315700       1.959400     -0.1780000    
 O   -5.659200     -0.1914000      9.6100003E-02
 N   -1.117500      -2.233700      0.5702000    
 N   -4.887600      0.7932000     -3.0000000E-03
 C    3.323800      0.5310000      0.8200000    
 C    2.814200      0.1585000     -0.6165000    
 C    4.834400      0.2459000       1.022400    
 C    3.120700      -1.293100      -1.064500    
 C    3.002300       1.991600       1.196000    
 C    1.300500      0.3950000     -0.7989000    
 C    5.336500      0.5689000       2.425300    
 C    2.749100      -1.633200      -2.504000    
 C  -0.7669000      0.1689000      0.2591000    
 C   -1.610200     -0.9149000      0.3691000    
 C   -1.233100       1.451900      6.5099999E-02
 C   -2.986600     -0.7069000      0.2809000    
 C   -2.609600       1.660000     -2.2900000E-02
 C   -3.486300      0.5806000      8.5000001E-02
 H    2.785800     -0.1060000       1.535600    
 H    5.032800     -0.8172000      0.8521000    
 H    5.438600      0.8061000      0.3007000    
 H    4.190600      -1.504500     -0.9627000    
 H    2.604900      -1.992600     -0.3965000    
 H    1.969400       2.260000      0.9575000    
 H    3.120400       2.150300       2.273000    
 H    3.662400       2.697500      0.6818000    
 H    6.364900      0.2122000       2.544500    
 H    4.719700      8.1699997E-02   3.187000    
 H    5.342500       1.646300       2.614100    
 H    2.964300      -2.691500      -2.690800    
 H    1.683100      -1.487200      -2.698500    
 H    3.323800      -1.062400      -3.237900    
 H  -0.5624000       2.303400       0.000000    
 H   -3.672600      -1.546600      0.3651000    
 H   -2.962900       2.677300     -0.1711000    


%chk=000016598-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000016598

0 1
Cl 4.130257 1.234574 -1.873689
O 0.678474 0.082692 -0.058964
O 1.128802 1.439044 -1.931251
O -1.483778 -2.962145 1.382687
O 0.068611 -2.576411 -0.245459
O -5.481359 1.802581 0.093393
O -5.639740 -0.405419 0.654757
N -0.926633 -2.217966 0.488758
N -4.967168 0.640930 0.316210
C 3.356338 0.600342 0.781624
C 2.982423 0.250973 -0.699255
C 4.794848 0.148659 1.156375
C 3.121805 -1.254413 -1.057763
C 3.117786 2.096545 1.095753
C 1.555420 0.719355 -1.026737
C 5.123573 0.338626 2.654477
C 2.582241 -1.648857 -2.446791
C -0.710903 0.248531 -0.084117
C -1.515138 -0.871441 0.270370
C -1.333407 1.498688 -0.318821
C -2.906693 -0.749794 0.426118
C -2.727808 1.626482 -0.201462
C -3.494979 0.501618 0.173330
H 2.647191 0.000576 1.391045
H 4.921785 -0.921906 0.908897
H 5.521835 0.708144 0.537174
H 4.192207 -1.511671 -0.988131
H 2.583644 -1.826156 -0.276978
H 2.092560 2.418232 0.831875
H 3.248019 2.289605 2.173574
H 3.827098 2.733511 0.538682
H 6.113036 -0.094806 2.886952
H 4.377332 -0.165708 3.297495
H 5.155334 1.404218 2.941227
H 2.792644 -2.715840 -2.636396
H 1.487606 -1.516241 -2.511356
H 3.058563 -1.054524 -3.245653
H -0.723070 2.361239 -0.590175
H -3.514659 -1.606001 0.729497
H -3.228596 2.580736 -0.383371


