%chk=000036531.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036531

0 1
 Cl   1.556200      -2.516700      0.6288000    
 O   -1.000400       1.119400      0.3985000    
 O   0.1190000      0.5527000      -1.513500    
 N   -4.812800     -0.6009000      0.2353000    
 N    1.143000      0.4808000      0.5905000    
 C   -2.264500      0.7754000     -0.1543000    
 C   -3.366500       1.340500      0.7362000    
 C   -2.394200     -0.7417000     -0.2564000    
 C   -4.746600      0.8669000      0.2815000    
 C   -3.803800      -1.151300     -0.6811000    
 C   -6.152300      -1.040500     -0.1548000    
 C   0.1068000      0.6971000     -0.2971000    
 C    2.456200      4.2700000E-02  0.3053000    
 C    3.436200      0.9885000      3.5599999E-02
 C    2.751700      -1.313700      0.2975000    
 C    4.736400      0.5698000     -0.2474000    
 C    3.139400       2.453400      3.8899999E-02
 C    4.051900      -1.732200      1.4400000E-02
 C    5.044200     -0.7905000     -0.2579000    
 H   -2.354400       1.230000      -1.149900    
 H   -3.322600       2.436400      0.7298000    
 H   -3.191200       1.043000       1.778800    
 H   -2.145300      -1.201200      0.7099000    
 H   -1.677400      -1.156300     -0.9737000    
 H   -5.490000       1.249800      0.9912000    
 H   -4.979700       1.300000     -0.7002000    
 H   -3.989100     -0.8204000      -1.711500    
 H   -3.857500      -2.246800     -0.6760000    
 H   -6.900300     -0.6728000      0.5564000    
 H   -6.217800      -2.134100     -0.1404000    
 H   -6.427600     -0.6913000      -1.156600    
 H   0.9481000      0.6468000       1.574600    
 H    5.521700       1.289600     -0.4628000    
 H    2.448500       2.704700     -0.7725000    
 H    2.700700       2.756200      0.9955000    
 H    4.045100       3.053200     -0.1029000    
 H    4.308800      -2.788500      1.9000000E-03
 H    6.056500      -1.116600     -0.4784000    


%chk=000036531-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000036531

0 1
Cl 2.645097 -2.420801 2.009793
O -0.928623 0.238331 0.880184
O 0.235646 0.447263 -1.163642
N -5.043821 -0.384800 -0.013492
N 1.321697 0.055401 0.909662
C -2.231939 0.365609 0.156600
C -3.252712 0.872626 1.180936
C -2.660134 -0.990549 -0.427793
C -4.650794 0.937395 0.528455
C -4.076951 -0.868221 -1.028644
C -6.431654 -0.392695 -0.515139
C 0.225903 0.263669 0.078292
C 2.676368 -0.061586 0.486001
C 3.319627 0.935679 -0.312009
C 3.443885 -1.171101 0.930892
C 4.674973 0.733484 -0.675674
C 2.603386 2.203876 -0.725561
C 4.792452 -1.354222 0.589814
C 5.407016 -0.391628 -0.241711
H -2.090106 1.097291 -0.662903
H -2.959233 1.871404 1.552688
H -3.282671 0.177601 2.039486
H -2.670242 -1.745122 0.379894
H -1.947011 -1.312393 -1.207581
H -5.397909 1.243695 1.283657
H -4.650151 1.724635 -0.273851
H -4.044461 -0.185159 -1.919893
H -4.412555 -1.857747 -1.389646
H -7.122924 -0.099707 0.295282
H -6.702885 -1.412162 -0.842896
H -6.596141 0.302520 -1.377920
H 1.089712 -0.282004 1.848440
H 5.166578 1.492542 -1.294188
H 1.887364 2.004278 -1.542233
H 2.017402 2.621355 0.114321
H 3.327032 2.966442 -1.058976
H 5.340023 -2.227383 0.954446
H 6.455155 -0.516416 -0.531895


