%chk=000158668.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158668

0 1
 Cl   3.267400       1.441300      -1.895500    
 F   -1.210500       3.471100      0.3462000    
 F   0.6642000       2.431800      0.6763000    
 F  -4.5499999E-02   2.770500      -1.351000    
 F    5.267900     -0.7315000       2.206100    
 O   -1.336900      -3.540100     -0.8447000    
 O   0.5200000      -2.460200      -1.297200    
 O   -5.087600      0.9289000       1.235600    
 O   -5.164900      -1.236200      0.8814000    
 N   0.7713000     -2.5900001E-02 -0.9557000    
 N  -0.6652000      -2.483300     -0.8913000    
 N   -4.551000     -0.1421000      0.8623000    
 C  -0.5682000     -6.1000001E-02 -0.4992000    
 C   -1.185600       1.116900     -7.8500003E-02
 C   -1.270300      -1.266000     -0.4686000    
 C    1.936500     -0.1929000     -0.1611000    
 C   -2.505100       1.089900      0.3727000    
 C   -2.590000      -1.293000     -1.7300000E-02
 C   -3.207300     -0.1150000      0.4033000    
 C    1.002500     -7.3600002E-02  -2.406300    
 C  -0.4589000       2.422600     -9.8800004E-02
 C    3.132200      0.4326000     -0.4996000    
 C    1.856500     -0.9985000      0.9707000    
 C    4.259600      0.2505000      0.3015000    
 C    2.983700      -1.180600       1.771600    
 C    4.185300     -0.5560000       1.437100    
 H   -2.974600       2.014900      0.6979000    
 H   -3.141300      -2.230000      8.3999997E-03
 H   0.1648000     -0.5755000      -2.911800    
 H    1.886400     -0.6492000      -2.707500    
 H   0.9854000      0.9285000      -2.847300    
 H   0.9408000      -1.492600       1.277900    
 H    5.203500      0.7300000      5.5300001E-02
 H    2.926100      -1.806000       2.657500    


%chk=000158668-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158668

0 1
Cl 2.998972 1.762768 -2.181710
F -0.925542 3.166633 1.132193
F 0.788202 1.816437 1.690755
F 0.595628 2.606133 -0.432810
F 5.380029 0.249815 2.132428
O -1.877543 -3.246679 -2.014130
O 0.062318 -3.065678 -0.824898
O -5.021580 1.123463 1.366432
O -5.494072 -0.823268 0.262295
N 0.766407 -0.266264 -1.089819
N -1.063073 -2.593891 -1.257958
N -4.680925 0.098233 0.658513
C -0.509460 -0.218845 -0.512106
C -0.997220 0.896912 0.277104
C -1.479172 -1.253210 -0.778560
C 1.947827 -0.067609 -0.286236
C -2.344979 0.968580 0.664733
C -2.840298 -1.150995 -0.451195
C -3.260914 -0.029171 0.274012
C 0.976005 -0.887704 -2.424562
C -0.144084 2.090506 0.653058
C 3.037022 0.762087 -0.666072
C 2.066289 -0.819662 0.914751
C 4.188230 0.870790 0.135068
C 3.196819 -0.716116 1.743952
C 4.236544 0.133329 1.330146
H -2.716735 1.824977 1.232298
H -3.540516 -1.950608 -0.707109
H 0.030554 -0.884148 -2.990661
H 1.351634 -1.922707 -2.334661
H 1.705532 -0.278752 -2.980214
H 1.256170 -1.507189 1.174444
H 5.018954 1.520676 -0.149783
H 3.284175 -1.288543 2.670700


