%chk=000040183.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040183

0 1
 Cl   3.009900      0.5933000      -2.868100    
 Cl   5.407500      -2.010400       1.192200    
 F    1.546400       1.175000       1.973800    
 O    1.304400       1.751200     -0.6823000    
 O   -2.083000      -2.320200      0.4914000    
 O   -2.727300      -1.919900      -1.682000    
 O   -4.751000       1.425600      0.8761000    
 O   -4.438500     -0.6473000      0.2242000    
 N   -4.015700      0.5150000      0.4275000    
 C   6.5000001E-03   1.442800     -0.4122000    
 C   -1.794700     -0.1665000     -0.3625000    
 C   -2.654300      0.8112000      0.1385000    
 C  -0.4643000      0.1494000     -0.6377000    
 C  -0.8531000       2.420400      8.8799998E-02
 C   -2.183500       2.104600      0.3642000    
 C    2.278500      0.8616000     -0.2614000    
 C    3.126000      0.2652000      -1.178300    
 C    2.373900      0.5944000       1.093900    
 C   -2.250600      -1.529000     -0.6105000    
 C    4.099400     -0.6261000     -0.7271000    
 C    3.347200     -0.2969000       1.545200    
 C    4.210000     -0.9072000      0.6347000    
 C   -2.493900      -3.686400      0.3716000    
 H   0.1874000     -0.6199000      -1.045200    
 H  -0.4911000       3.429400      0.2667000    
 H   -2.820600       2.894600      0.7536000    
 H    4.772200      -1.103600      -1.436300    
 H    3.420500     -0.5073000       2.609000    
 H   -3.564700      -3.740800      0.1544000    
 H   -2.302100      -4.184400       1.325600    
 H   -1.915000      -4.186700     -0.4103000    


%chk=000040183-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040183

0 1
Cl 2.890736 1.701018 -2.575828
Cl 6.158902 -1.841641 0.174428
F 1.904895 0.240740 2.304087
O 1.361027 1.806303 0.037236
O -2.952344 -2.137445 0.779170
O -1.533180 -2.599131 -1.017615
O -4.976672 1.276984 0.227093
O -4.463603 -0.597764 -0.970667
N -4.132167 0.438706 -0.275281
C 0.018407 1.371631 0.016465
C -1.729968 -0.322192 -0.157591
C -2.691966 0.716224 -0.085524
C -0.361319 0.019695 -0.123755
C -0.944811 2.399784 0.129002
C -2.306353 2.066376 0.072750
C 2.412935 0.874004 0.033263
C 3.274118 0.766082 -1.082551
C 2.744815 0.131294 1.191019
C -2.065800 -1.788758 -0.226887
C 4.418917 -0.056059 -1.054267
C 3.868904 -0.703612 1.263871
C 4.693272 -0.778410 0.123843
C -3.443902 -3.537509 0.753033
H 0.383365 -0.777128 -0.207125
H -0.612448 3.434889 0.240168
H -3.082064 2.833913 0.132499
H 5.070837 -0.128958 -1.927444
H 4.084637 -1.259470 2.179070
H -4.085135 -3.678504 -0.132800
H -4.021151 -3.648126 1.680715
H -2.596485 -4.241837 0.717123


