%chk=000042271.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042271

0 1
 Cl   4.081100       3.454000       1.181600    
 Cl  -6.280700     -0.4087000       2.203600    
 O   -1.874400      0.4899000      -2.639800    
 O    4.389800      -2.529600       1.232100    
 O    2.396700      -1.826300       2.048000    
 N    1.706000     -0.8628000     -0.5275000    
 C    1.835500      0.4702000     -0.2088000    
 C   0.4507000      -1.112400      -1.013500    
 C    2.748400      -1.856600     -0.3700000    
 C   0.6164000       1.083800     -0.5048000    
 C  -0.2476000      7.3100001E-02  -1.011700    
 C    2.927400       1.172500      0.3138000    
 C   3.2400001E-02  -2.466700      -1.436500    
 C   0.4779000       2.466100     -0.2687000    
 C    3.973400      -1.546700      -1.231900    
 C   -1.607800      0.2191000      -1.449800    
 C    3.125400      -2.050400       1.090400    
 C    2.766600       2.542600      0.5396000    
 C    1.561700       3.181400      0.2535000    
 C   -2.786000      5.9700001E-02 -0.5291000    
 C   -2.544100     -0.2382000      0.7867000    
 C   -4.043100      0.2221000      -1.051200    
 C   -3.636700     -0.3846000       1.641200    
 C   -5.136000      7.5900003E-02 -0.1967000    
 C   -4.932800     -0.2274000       1.149600    
 H    2.362700      -2.826800     -0.6968000    
 H    3.860800      0.6836000      0.5656000    
 H   0.6638000      -2.838000      -2.250400    
 H  -0.9988000      -2.470400      -1.804600    
 H   7.6600000E-02  -3.171000     -0.5993000    
 H  -0.4552000       2.978000     -0.4862000    
 H    3.677300      -1.241100      -2.241800    
 H    4.615300     -0.7656000     -0.8174000    
 H    4.599900      -2.440400      -1.337600    
 H    1.445400       4.248000      0.4325000    
 H   -1.550900     -0.3666000       1.202000    
 H   -4.226600      0.4582000      -2.094200    
 H    4.627400      -2.659200       2.175000    
 H   -3.463700     -0.6211000       2.688000    
 H   -6.140200      0.2011000     -0.5934000    


%chk=000042271-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042271

0 1
Cl 3.388119 3.479815 1.753391
Cl -6.423631 1.772651 1.889790
O -2.073650 -1.412298 -2.236550
O 4.965899 -2.743838 0.654708
O 3.127798 -1.993463 1.862749
N 1.874789 -1.095713 -0.533006
C 1.710535 0.200943 -0.001872
C 0.642929 -1.554295 -1.027625
C 3.142420 -1.832068 -0.630693
C 0.330199 0.564436 -0.157460
C -0.340003 -0.566633 -0.798637
C 2.663591 1.060755 0.585447
C 0.494910 -2.913566 -1.645656
C -0.079224 1.863115 0.243862
C 4.170613 -1.144261 -1.566189
C -1.748190 -0.702597 -1.222181
C 3.699257 -2.156937 0.769107
C 2.200842 2.323976 0.983469
C 0.858684 2.745091 0.814800
C -2.844250 -0.029761 -0.438104
C -2.756398 0.183117 0.963011
C -4.049612 0.300094 -1.112860
C -3.845875 0.723480 1.679609
C -5.139238 0.859276 -0.416467
C -5.017555 1.061605 0.974221
H 2.909509 -2.818111 -1.073663
H 3.704451 0.774857 0.750341
H 1.078525 -3.005508 -2.582453
H -0.559472 -3.069722 -1.915037
H 0.818341 -3.719330 -0.958837
H -1.114497 2.189581 0.116070
H 3.729036 -1.035034 -2.571161
H 4.451240 -0.142476 -1.205272
H 5.080956 -1.759641 -1.636591
H 0.559566 3.748091 1.131069
H -1.844787 -0.091703 1.502789
H -4.119133 0.099429 -2.186712
H 5.297037 -2.995371 1.559374
H -3.786232 0.874140 2.761101
H -6.063497 1.126576 -0.936381


