%chk=000084417.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000084417

1 1
 Cl  -3.078300       2.633000     -0.5988000    
 Cl  -4.338200      -2.655500     -0.1978000    
 O   -8.179100       2.243600      0.3692000    
 O   -8.686500      0.1139000      0.5304000    
 N    3.486100      -1.736000     -0.4881000    
 N    6.017400      0.8941000      0.3556000    
 N   -1.862700     -0.3854000      0.4671000    
 N   -2.488500     -0.3184000     -0.6169000    
 N   -7.852000       1.032400      0.3456000    
 C    4.474400     -0.7013000     -0.7193000    
 C    4.978600     -0.1340000      0.5994000    
 C    3.897200      -3.125300     -0.5210000    
 C    2.138500      -1.395500     -0.2476000    
 C    4.091000      -3.646200      0.8902000    
 C    1.752200     -5.5500001E-02 -0.2178000    
 C    1.192100      -2.399000     -3.9500002E-02
 C    5.625200       2.156700      0.2133000    
 C    7.285200      0.4978000      0.2926000    
 C   0.4197000      0.2812000      2.0199999E-02
 C  -0.1405000      -2.062200      0.1984000    
 C  -0.5266000     -0.7221000      0.2283000    
 C    6.576400       3.140800     -1.5500000E-02
 C    8.279300       1.438800      6.5200001E-02
 C    7.916500       2.773300     -8.9599997E-02
 C   -3.831200      1.9800000E-02 -0.3764000    
 C   -4.217300       1.359200     -0.3459000    
 C   -4.775600     -0.9847000     -0.1680000    
 C   -6.495300      0.6907000      0.1019000    
 C   -5.549900       1.694700     -0.1066000    
 C   -6.108200     -0.6490000      7.1400002E-02
 H    4.114800      8.1400000E-02  -1.397800    
 H    5.332100      -1.125000      -1.258700    
 H    5.424700     -0.9094000       1.232200    
 H    4.185300      0.3277000       1.197900    
 H    4.854500      -3.224900      -1.048500    
 H    3.208500      -3.754200      -1.096200    
 H    4.363600      -4.706400      0.8604000    
 H    3.195300      -3.551400       1.510100    
 H    4.900800      -3.116700       1.401100    
 H    2.437400      0.7709000     -0.3689000    
 H    1.425200      -3.457800     -5.0799999E-02
 H    4.566200       2.374200      0.2774000    
 H    7.499400     -0.5566000      0.4167000    
 H   0.1283000       1.328200      4.3499999E-02
 H  -0.8707000      -2.850800      0.3605000    
 H    6.280500       4.177400     -0.1358000    
 H    9.320300       1.139400      8.0000004E-03
 H    8.677900       3.526700     -0.2688000    
 H   -5.831900       2.745400     -8.6499996E-02
 H   -6.830500      -1.446600      0.2318000    


%chk=000084417-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000084417

1 1
Cl -4.660072 -1.565600 -2.369712
Cl -3.082764 1.484944 2.084189
O -9.007564 0.351477 0.004186
O -8.337971 1.616132 1.786346
N 3.619934 -1.559157 -1.036092
N 6.038424 0.635998 0.928351
N -1.688273 0.364979 -0.339817
N -2.677506 -0.478528 -0.465389
N -8.102458 0.862238 0.766947
C 4.742341 -0.656870 -0.823677
C 4.992855 -0.400710 0.710782
C 3.919584 -2.986954 -1.329922
C 2.297313 -1.108770 -0.855673
C 4.005260 -3.900237 -0.085781
C 2.003263 0.281048 -0.663165
C 1.196152 -2.029952 -0.871955
C 5.683639 1.973755 0.913247
C 7.367573 0.268638 1.036906
C 0.681189 0.720819 -0.508532
C -0.119453 -1.586619 -0.714860
C -0.397665 -0.200398 -0.529053
C 6.658937 2.972492 1.016647
C 8.370441 1.238482 1.143413
C 8.023754 2.612626 1.132824
C -3.976166 -0.013556 -0.152287
C -5.052353 -0.538525 -0.935472
C -4.336041 0.814529 0.959411
C -6.682392 0.558238 0.448295
C -6.396167 -0.260389 -0.663934
C -5.673910 1.095888 1.272443
H 4.577490 0.316470 -1.324558
H 5.649156 -1.100876 -1.269430
H 5.310562 -1.333026 1.203221
H 4.054509 -0.058659 1.178649
H 4.876395 -3.017878 -1.882340
H 3.153886 -3.364762 -2.029219
H 4.171137 -4.945693 -0.401043
H 3.076023 -3.868073 0.508364
H 4.845985 -3.619101 0.574950
H 2.796929 1.034231 -0.682687
H 1.372183 -3.099816 -1.006627
H 4.616156 2.194388 0.842070
H 7.578509 -0.802916 1.047844
H 0.449705 1.782478 -0.375959
H -0.955176 -2.293077 -0.730939
H 6.346550 4.019442 1.012993
H 9.410088 0.916451 1.238335
H 8.796248 3.381418 1.217328
H -7.207742 -0.653778 -1.279971
H -5.946895 1.718159 2.127951


