%chk=000158669.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158669

0 1
 Cl   3.216400      -1.620700      -1.887500    
 F   -1.262000      -3.500800      0.4796000    
 F  -8.8900000E-02  -2.912100      -1.246900    
 F   0.6168000      -2.441300      0.7553000    
 F   0.7068000       1.600800       1.176400    
 F    5.266000      0.7314000       2.088900    
 O   -1.339600       3.442600      -1.061200    
 O   0.5067000       2.326600      -1.466900    
 O   -5.112100     -0.8845000       1.265000    
 O   -5.174500       1.260500      0.8024000    
 N   0.7409000     -8.9299999E-02  -1.004300    
 N  -0.6763000       2.379500      -1.057100    
 N   -4.569600      0.1617000      0.8345000    
 C  -0.5957000     -2.0400001E-02 -0.5428000    
 C   -1.219900      -1.170600     -6.0199998E-02
 C   -1.288100       1.190300     -0.5694000    
 C    1.912100      0.1077000     -0.2253000    
 C   -2.536600      -1.110100      0.3959000    
 C   -2.605000       1.250700     -0.1132000    
 C   -3.229200      0.1004000      0.3695000    
 C   0.8949000     -0.1197000      -2.465300    
 C  -0.5042000      -2.481800     -2.0300001E-02
 C    3.099700     -0.5448000     -0.5410000    
 C    1.847900      0.9690000      0.8658000    
 C    4.234600     -0.3336000      0.2421000    
 C    2.982900       1.179900       1.648800    
 C    4.176200      0.5286000       1.337000    
 H   -3.011600      -2.013800      0.7696000    
 H   -3.148700       2.192300     -0.1318000    
 H    1.775200      0.4254000      -2.826800    
 H   4.0600002E-02  0.3537000      -2.969500    
 H   0.8777000      -1.147400      -2.843200    
 H    5.172500     -0.8332000      1.2900000E-02
 H    2.937300       1.851100       2.501100    


%chk=000158669-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158669

0 1
Cl 2.986932 -1.892280 -2.172651
F -0.979226 -3.181570 1.156494
F 0.535328 -2.668104 -0.430501
F 0.754088 -1.841998 1.676872
F 0.970255 1.504748 1.288072
F 5.380023 -0.225043 2.064433
O -2.019942 3.027430 -2.294475
O 0.002828 2.972267 -1.243229
O -5.015979 -1.022546 1.515356
O -5.497637 0.868382 0.322901
N 0.733686 0.159612 -1.149258
N -1.142636 2.456561 -1.537905
N -4.686207 -0.045324 0.738300
C -0.554392 0.144166 -0.588060
C -1.035867 -0.928673 0.258397
C -1.522360 1.162865 -0.907275
C 1.900391 -0.032692 -0.337878
C -2.369329 -0.961918 0.698706
C -2.870410 1.095927 -0.520837
C -3.279613 0.030998 0.290924
C 0.957282 0.683247 -2.524722
C -0.192627 -2.123661 0.650282
C 3.016260 -0.841733 -0.694922
C 2.038432 0.699984 0.877876
C 4.181941 -0.908328 0.090336
C 3.167210 0.657331 1.702243
C 4.228109 -0.155568 1.274642
H -2.733039 -1.783027 1.320957
H -3.571654 1.883571 -0.808182
H 1.360201 1.710315 -2.504702
H 0.005850 0.673110 -3.080095
H 1.657640 0.016983 -3.049919
H 5.023216 -1.542186 -0.197619
H 3.214448 1.235252 2.627539


