%chk=000044191.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044191

0 1
 Cl  0.9280000      -4.494600      0.4415000    
 F   -3.696500      0.4374000      -1.805300    
 F   -3.846700      -1.231600     -0.4129000    
 F   -4.903500      0.6327000      2.7999999E-03
 O   -1.384000      7.5300001E-02 -0.3623000    
 O    2.318300       3.491900     -5.6800000E-02
 N    2.582600       1.203800     -0.4104000    
 N  -0.2058000       1.690300      0.7443000    
 C    2.142200     -0.1526000     -0.2029000    
 C   0.8163000     -0.4937000      0.1372000    
 C  -0.2520000      0.5151000      0.2306000    
 C   -2.545000      0.6239000      0.2503000    
 C    1.061900       2.057000       1.345600    
 C    2.027000       2.324800      0.2191000    
 C    3.057700      -1.210500     -0.3766000    
 C   0.4503000      -1.836500      0.3415000    
 C    3.710800       1.423800      -1.317400    
 C   -3.760500      0.1148000     -0.4948000    
 C   -2.571700      0.2278000       1.718900    
 C    2.686000      -2.543400     -0.1795000    
 C    1.384600      -2.855700      0.1871000    
 H   -2.551500       1.716800      0.1482000    
 H    1.450000       1.309700       2.047100    
 H   0.9299000       2.980400       1.920400    
 H    4.095600      -1.023100     -0.6410000    
 H  -0.5702000      -2.092300      0.6192000    
 H   -3.526000      0.5127000       2.175500    
 H   -1.788000      0.6953000       2.320500    
 H   -2.453800     -0.8556000       1.834700    
 H    3.758900       2.467300      -1.642400    
 H    3.605800      0.8002000      -2.211000    
 H    4.642300       1.193700     -0.7911000    
 H    3.430900      -3.324300     -0.3103000    


%chk=000044191-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044191

0 1
Cl 1.362931 -4.730305 0.473460
F -3.016311 0.622747 -1.938618
F -4.007940 -1.005681 -0.712458
F -4.734969 1.139275 -0.547943
O -1.427582 -0.226111 0.205635
O 2.524248 3.446064 -0.020460
N 2.506504 1.162580 -0.499138
N -0.101011 1.502553 1.066486
C 2.212952 -0.200336 -0.171197
C 0.923536 -0.642261 0.274278
C -0.177087 0.313942 0.542862
C -2.605703 0.632275 0.474139
C 1.225004 2.000597 1.479813
C 2.132449 2.284120 0.274805
C 3.218686 -1.180674 -0.401982
C 0.674605 -2.028857 0.454170
C 3.403783 1.432151 -1.651836
C -3.571113 0.335443 -0.676715
C -3.203820 0.318689 1.848775
C 2.974522 -2.551005 -0.202795
C 1.694880 -2.959991 0.224445
H -2.294596 1.690588 0.408348
H 1.735052 1.281852 2.157508
H 1.096065 2.955850 2.008032
H 4.210532 -0.865705 -0.737220
H -0.324036 -2.350049 0.759085
H -4.116481 0.915357 2.019255
H -2.468779 0.580641 2.626481
H -3.457565 -0.751022 1.932090
H 3.211520 2.461084 -1.991384
H 3.187513 0.717139 -2.461144
H 4.471171 1.366325 -1.369859
H 3.764938 -3.286477 -0.377117


