%chk=000058621.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058621

0 1
 Cl  -7.183400      -3.245500      0.4099000    
 O    3.406600       1.776600       2.140300    
 O    1.029100      0.7388000       2.211600    
 O   -4.519500      -2.272000      0.3908000    
 N    3.522900       1.480200     -0.1689000    
 N   0.7203000       1.133900     -9.8800004E-02
 N   -4.771300     -6.0699999E-02 -0.3659000    
 C    4.945700       1.751400     -0.2912000    
 C    2.803400       1.099400      -1.366200    
 C    5.722600      0.5646000     -0.8531000    
 C    1.388100       1.635100      -1.300000    
 C    5.579000     -0.6930000      1.0800000E-02
 C    6.320100      -1.878600     -0.6126000    
 C    2.894800       1.480400       1.065900    
 C    1.441400       1.060600       1.101900    
 C  -0.6866000      0.8276000     -0.1674000    
 C    6.184800      -3.171100      0.1951000    
 C   -1.493300       1.461900      -1.112200    
 C   -1.241400     -0.1031000      0.7111000    
 C   -3.409400      0.2348000     -0.3000000    
 C    6.859700      -4.368300     -0.4560000    
 C   -2.854700       1.165600      -1.178400    
 C   -2.602700     -0.3995000      0.6449000    
 C   -5.756700      0.9689000     -0.8223000    
 C   -5.262400      -1.366700      4.3000001E-03
 C   -6.281400       1.787800      0.3390000    
 C   -6.755700      -1.609200     -0.1326000    
 H    5.358300       2.034200      0.6834000    
 H    5.060400       2.617500     -0.9531000    
 H    3.306700       1.511800      -2.247300    
 H    2.807500      5.5000000E-03  -1.432900    
 H    6.782300      0.8390000     -0.9220000    
 H    5.391900      0.3453000      -1.875200    
 H   0.8658000       1.307300      -2.204700    
 H    1.384300       2.730600      -1.252900    
 H    5.974400     -0.4971000       1.014700    
 H    4.523700     -0.9632000      0.1270000    
 H    5.934800      -2.050700      -1.625500    
 H    7.383400      -1.629500     -0.7166000    
 H    6.611800      -3.020700       1.193800    
 H    5.122000      -3.401700      0.3358000    
 H   -1.103700       2.207300      -1.799300    
 H  -0.6500000     -0.6471000       1.439400    
 H    6.427200      -4.572500      -1.440500    
 H    7.932200      -4.190000     -0.5823000    
 H    6.732600      -5.260900      0.1643000    
 H   -3.421000       1.664700      -1.955900    
 H   -2.983500      -1.071900       1.405400    
 H   -5.332300       1.635200      -1.573800    
 H   -6.595000      0.4891000      -1.331500    
 H   -5.471800       2.355600      0.8099000    
 H   -6.734300       1.162600       1.113400    
 H   -7.035800       2.501000     -7.8999996E-03
 H   -7.326300     -0.9085000      0.4771000    
 H   -7.051700      -1.544300      -1.181800    


%chk=000058621-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000058621

0 1
Cl -7.572027 -3.148636 -0.623844
O 3.523433 1.723987 1.812904
O 0.960905 0.565049 1.952169
O -4.733612 -2.227133 -0.873573
N 3.482145 1.426469 -0.505489
N 0.635582 1.069489 -0.324025
N -5.010947 0.063937 -0.479950
C 4.932447 1.686170 -0.658538
C 2.692646 1.048774 -1.690605
C 5.740552 0.428129 -1.058565
C 1.270380 1.598658 -1.560317
C 5.678873 -0.708421 -0.014556
C 6.524395 -1.937805 -0.414802
C 2.901104 1.419524 0.757552
C 1.410906 0.969788 0.848581
C -0.782232 0.809238 -0.337504
C 6.459499 -3.082546 0.622224
C -1.624031 1.569062 -1.191444
C -1.357948 -0.213681 0.463133
C -3.580302 0.297106 -0.443812
C 7.305118 -4.309478 0.218575
C -3.007387 1.308621 -1.248910
C -2.741217 -0.461228 0.408130
C -5.894882 1.224160 -0.168771
C -5.491849 -1.243037 -0.666866
C -6.044235 1.470721 1.348141
C -7.031636 -1.369310 -0.643218
H 5.283502 2.072943 0.313632
H 5.066096 2.481459 -1.419302
H 3.171096 1.487264 -2.585091
H 2.663830 -0.052000 -1.826568
H 6.793888 0.743865 -1.202633
H 5.395665 0.050607 -2.044030
H 0.672181 1.266581 -2.424926
H 1.292576 2.707182 -1.550753
H 6.021127 -0.322210 0.966409
H 4.625446 -1.021997 0.134071
H 6.182138 -2.319161 -1.400454
H 7.582434 -1.629789 -0.551997
H 6.801738 -2.701612 1.605619
H 5.402719 -3.388763 0.760797
H -1.212226 2.374657 -1.807477
H -0.727565 -0.796831 1.134712
H 6.962745 -4.727369 -0.747198
H 8.371815 -4.037249 0.106651
H 7.239403 -5.112157 0.975688
H -3.635300 1.888100 -1.934587
H -3.170357 -1.262497 1.014813
H -5.460258 2.120149 -0.644720
H -6.880820 1.073259 -0.639976
H -5.057725 1.647457 1.810490
H -6.508156 0.606193 1.856330
H -6.676375 2.358463 1.532421
H -7.474587 -0.908161 0.252189
H -7.476809 -0.927489 -1.549732


