%chk=000042769.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042769

0 1
 Cl  -2.604200       2.770100     -0.4037000    
 Cl  -2.468400      -2.502600      0.9722000    
 O    7.214400      -2.522400      0.1999000    
 O    5.726500       3.039500       1.655600    
 O   -7.443600      -1.125300      0.2918000    
 O   -7.497900      0.9980000     -0.2632000    
 N    4.823700      0.1848000     -0.4735000    
 N  -0.7626000     -9.4400004E-02 -0.7604000    
 N   -1.262800      0.1847000      0.3539000    
 N   -6.864200     -3.9500002E-02  4.7200002E-02
 C    3.417200      0.1092000     -0.5447000    
 C    5.636400     -0.9824000     -0.7529000    
 C    5.474300       1.426900     -0.1067000    
 C    2.768200      -1.095300     -0.2731000    
 C    1.376900      -1.169000     -0.3425000    
 C    2.674900       1.240000     -0.8855000    
 C    6.449000      -1.355900      0.4751000    
 C    5.054600       1.839500       1.294000    
 C   0.6345000     -3.8400002E-02 -0.6839000    
 C    1.283600       1.166200     -0.9552000    
 C   0.7043000      -2.469700     -4.7400001E-02
 C   -2.664900      0.1286000      0.2766000    
 C   -3.389800       1.268900     -6.7199998E-02
 C   -3.329700      -1.067700      0.5444000    
 C   -5.447300      1.6899999E-02  0.1245000    
 C   -4.781500       1.213200     -0.1431000    
 C   -4.721400      -1.123700      0.4680000    
 H    6.328700     -0.7390000      -1.570500    
 H    5.082300      -1.847800      -1.133400    
 H    5.260500       2.223000     -0.8301000    
 H    6.567300       1.338300     -0.1452000    
 H    3.319500      -1.979900      3.3599999E-02
 H    3.138700       2.192300      -1.122200    
 H    7.142600     -0.5703000      0.7873000    
 H    5.793100      -1.579000       1.323100    
 H    3.981000       2.021300       1.391300    
 H    5.326100       1.071700       2.025900    
 H   0.7150000       2.051800      -1.227200    
 H    1.397800      -3.308800     -0.1763000    
 H   0.3609000      -2.482300      0.9899000    
 H  -0.1243000      -2.655700     -0.7367000    
 H    7.809600      -2.313900     -0.5402000    
 H    5.462500       3.725500       1.018900    
 H   -5.329700       2.113600     -0.4123000    
 H   -5.222100      -2.066100      0.6800000    


%chk=000042769-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000042769

0 1
Cl -2.684942 -0.755043 -2.517176
Cl -2.862346 0.891581 2.861304
O 6.968768 -2.659637 -0.617492
O 6.342113 2.937248 2.194757
O -7.841325 0.384038 1.072263
O -7.742807 -0.312236 -1.103747
N 4.868173 0.504603 -0.338526
N -0.684455 -0.621892 -0.237192
N -1.484905 0.261713 0.316015
N -7.185846 0.038746 0.010784
C 3.498882 0.235429 -0.282507
C 5.815738 -0.478758 -0.904296
C 5.430667 1.754936 0.213217
C 2.954838 -0.983053 -0.810304
C 1.578633 -1.261620 -0.790676
C 2.580516 1.181889 0.295966
C 6.198607 -1.622045 0.074790
C 5.655106 1.720745 1.749186
C 0.683599 -0.291351 -0.222060
C 1.213557 0.921793 0.315524
C 1.047990 -2.561948 -1.359248
C -2.870060 0.064512 0.194285
C -3.576586 -0.316606 -0.994838
C -3.686829 0.432633 1.312714
C -5.714004 0.047922 0.075820
C -4.975201 -0.318645 -1.069738
C -5.082710 0.424571 1.283153
H 6.729531 0.062837 -1.211781
H 5.396831 -0.934983 -1.819316
H 4.782608 2.611686 -0.053317
H 6.408344 1.941881 -0.263809
H 3.615925 -1.735029 -1.248943
H 2.943304 2.118195 0.727428
H 6.747295 -1.220269 0.951705
H 5.293702 -2.136042 0.436092
H 4.697566 1.565719 2.286489
H 6.338597 0.898464 2.016791
H 0.511734 1.638632 0.753792
H 1.856896 -3.155624 -1.817592
H 0.569115 -3.169370 -0.570516
H 0.266305 -2.373286 -2.114846
H 7.882778 -2.330448 -0.808701
H 5.710045 3.699176 2.201750
H -5.501553 -0.599975 -1.984753
H -5.684493 0.693811 2.153649


