%chk=000044052.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044052

0 1
 Cl  -1.812800       3.184500       2.308900    
 F    1.200900       2.877800     -0.2649000    
 F    3.299200       2.644800      0.2315000    
 F    2.604000       2.194400      -1.779200    
 F   -5.590100      -1.031900      -1.210000    
 F   -3.895500     -0.8884000      -2.555900    
 F   -3.843900      -2.288400     -0.8927000    
 O    5.190200     -0.8476000     -0.8430000    
 O    4.526100       1.233700      -1.058800    
 O   0.1867000      -3.672000       1.481100    
 O    2.233400      -4.200900      0.8896000    
 N  -0.2501000       1.220000      0.5877000    
 N    4.314500      4.2300001E-02 -0.7314000    
 N    1.313400      -3.358800       1.026600    
 C   0.7790000      0.2736000      0.4349000    
 C    2.028600      0.6414000     -7.3100001E-02
 C    3.036600     -0.3120000     -0.2161000    
 C   -1.658600       1.117100      0.5339000    
 C   0.5467000      -1.056000      0.7984000    
 C    1.554700      -2.009500      0.6553000    
 C    2.799700      -1.637400      0.1482000    
 C    2.278300       2.066100     -0.4624000    
 C   -2.228100      0.1434000     -0.2867000    
 C   -3.615400      1.7600000E-02 -0.3601000    
 C   -2.476300       1.965000       1.281000    
 C   -4.433200      0.8654000      0.3869000    
 C   -3.863600       1.839100       1.207400    
 C   -4.224400      -1.023500      -1.237000    
 H   7.1699999E-02   2.138100      0.8787000    
 H  -0.4154000      -1.335800       1.220700    
 H    3.583000      -2.383900      3.8300000E-02
 H   -1.611400     -0.5107000     -0.8980000    
 H   -5.515600      0.7827000      0.3430000    
 H   -4.514800       2.492000       1.783000    


%chk=000044052-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044052

0 1
Cl -1.786019 3.374074 2.087869
F 1.776334 3.057327 0.657524
F 3.821006 2.469533 -0.050063
F 2.112590 2.635201 -1.542836
F -5.389049 -1.759254 -0.538582
F -4.753791 -0.665362 -2.414739
F -3.367480 -2.197257 -1.482939
O 5.432492 -0.540794 -0.085002
O 4.470194 0.561381 -1.844852
O -0.013291 -3.626886 1.355072
O 2.128278 -4.234529 0.849023
N -0.254242 1.322615 0.486115
N 4.425646 -0.052681 -0.715736
N 1.183027 -3.368500 0.956064
C 0.759707 0.366656 0.371388
C 2.102326 0.731922 -0.006268
C 3.068507 -0.301904 -0.133848
C -1.649472 1.099650 0.460152
C 0.487127 -0.998890 0.679560
C 1.501422 -1.954000 0.588132
C 2.809790 -1.643049 0.175144
C 2.467321 2.180867 -0.255425
C -2.252703 0.066358 -0.302715
C -3.653059 -0.079158 -0.326031
C -2.514843 1.998778 1.145162
C -4.494591 0.812411 0.379262
C -3.912895 1.866713 1.110913
C -4.273487 -1.159557 -1.169901
H 0.033329 2.287781 0.679386
H -0.495904 -1.308614 1.039787
H 3.578929 -2.413050 0.089629
H -1.631022 -0.608715 -0.896149
H -5.580439 0.686971 0.361747
H -4.538238 2.576163 1.658958


