%chk=000046391.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046391

0 1
 Cl   4.985400      -1.472600     -0.1507000    
 Cl  -5.453100     -0.2791000      -1.058600    
 O   1.2300000E-02   1.513800      5.7599999E-02
 O   -3.045000      -1.515100      0.3240000    
 N  -0.1861000     -0.7428000      0.1308000    
 N   -2.144700      0.6630000      0.2083000    
 C    1.142000     -0.4019000      4.3900002E-02
 C    1.267400      0.9788000     -1.4000000E-03
 C  -0.7979000      0.4211000      0.1345000    
 C    2.301300      -1.189400     -2.0000001E-03
 C    2.474100       1.661800     -9.0499997E-02
 C    3.538900     -0.5358000     -9.2000000E-02
 C    3.620800      0.8615000     -0.1353000    
 C   -3.169800     -0.2936000      0.2970000    
 C   -4.545500      0.3304000      0.3343000    
 H    2.233800      -2.272400      3.1700000E-02
 H    2.526500       2.742800     -0.1233000    
 H   -2.399900       1.646900      0.1949000    
 H    4.590700       1.350200     -0.2053000    
 H   -4.515700       1.421100      0.2782000    
 H   -5.054800      3.0600000E-02   1.254200    


%chk=000046391-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046391

0 1
Cl 5.166884 -1.379405 0.248455
Cl -4.801179 2.014222 -0.211421
O -0.065385 1.427706 -0.321018
O -3.070136 -1.522423 0.829449
N -0.146976 -0.795186 0.400356
N -2.198615 0.548332 0.098746
C 1.208072 -0.411299 0.190280
C 1.265754 0.942473 -0.249665
C -0.838708 0.285461 0.096513
C 2.394117 -1.154195 0.354244
C 2.454494 1.615819 -0.541880
C 3.593490 -0.477193 0.059619
C 3.648170 0.870451 -0.377704
C -3.221513 -0.334571 0.451796
C -4.650101 0.214361 0.364217
H 2.376786 -2.192835 0.690256
H 2.475288 2.655125 -0.877646
H -2.479326 1.494420 -0.190912
H 4.616127 1.332962 -0.587913
H -5.118725 0.170910 1.358230
H -5.227818 -0.385836 -0.353702


