%chk=000040344.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040344

0 1
 Cl -0.4154000      -4.527900      -1.328700    
 F    2.594600       1.899300      -1.302800    
 O   -1.458800       3.219400      -1.629200    
 O   -2.443000       3.024000      0.7806000    
 N   -2.378800      0.6999000      0.8280000    
 N   0.1025000       1.664500     -0.6176000    
 C  -0.5780000     -0.6666000     -0.2445000    
 C   -1.859700     -0.5437000      0.3287000    
 C   0.3990000      0.4601000     -0.2641000    
 C   -1.268200       1.950300      -1.007100    
 C   -2.063900       1.956300      0.2906000    
 C    1.805200      0.2038000      0.1622000    
 C  -0.1453000      -1.897400     -0.7704000    
 C   -2.646200      -1.709000      0.4218000    
 C   -3.345900      0.6469000       1.924900    
 C  -0.9572000      -3.024600     -0.6917000    
 C   -2.202200      -2.933100     -8.4899999E-02
 C    2.840500      0.9493000     -0.3894000    
 C    2.064600     -0.7797000       1.109200    
 C    4.154300      0.7075000      1.2100000E-02
 C    3.378600      -1.021500       1.510500    
 C    4.423300     -0.2779000      0.9619000    
 H   -1.672500       1.216000      -1.711600    
 H   0.8297000      -1.980100      -1.246800    
 H   -3.641500      -1.685800      0.8588000    
 H   -4.334900      0.4151000       1.517600    
 H   -3.410800       1.611300       2.437500    
 H   -3.044400     -0.1045000       2.661500    
 H   -2.849400      -3.803000     -6.6999998E-03
 H    1.274300      -1.354300       1.583100    
 H    4.967600       1.287000     -0.4147000    
 H    3.587700      -1.783400       2.255800    
 H  -0.9388000       3.863500      -1.119000    
 H    5.446100     -0.4649000       1.275700    


%chk=000040344-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040344

0 1
Cl -0.404986 -4.610702 -1.406848
F 2.740286 1.543621 -1.663934
O -1.399680 3.276580 -1.608383
O -2.616327 3.006654 0.820045
N -2.397363 0.674521 0.831441
N 0.100917 1.725307 -0.534442
C -0.552556 -0.658616 -0.238331
C -1.897910 -0.535425 0.249857
C 0.417572 0.484884 -0.230649
C -1.286392 1.998865 -0.976624
C -2.168047 1.948506 0.295553
C 1.833128 0.197226 0.159588
C -0.116092 -1.918819 -0.733821
C -2.744990 -1.677681 0.240923
C -3.309243 0.592978 2.000458
C -0.985536 -3.016896 -0.748174
C -2.303430 -2.915624 -0.257166
C 2.942441 0.766161 -0.515278
C 2.122919 -0.639209 1.272963
C 4.272250 0.550490 -0.115362
C 3.447212 -0.867523 1.700003
C 4.525005 -0.267539 1.007280
H -1.634193 1.255642 -1.722045
H 0.908526 -2.020320 -1.102209
H -3.769309 -1.593096 0.614729
H -4.355409 0.411022 1.692307
H -3.272344 1.562475 2.520305
H -2.976197 -0.212031 2.674464
H -2.971537 -3.781188 -0.270586
H 1.289338 -1.098612 1.814896
H 5.082723 1.014969 -0.684459
H 3.637948 -1.505836 2.568430
H -1.502176 3.964461 -0.895504
H 5.556551 -0.438445 1.331873


