  Non-covalent Line-1                                                             
  Non-covalent Line-2                                                             
  Non-covalent Line-3                                                             
  Non-covalent Line-4                                                             
  Non-covalent Line-5 
  C6H5Cl-C6H6 complex r                                                           
  C6H5Br-C6H6 complex r                                                           
  C6H5I-C6H6 complex r                                                            
  C6H5Cl-C6H6 separated                                                           
  C6H5Br-C6H6 separated                                                           
  C6H5I-C6H6 separated                                                            
  C6H5Cl-C6H6 complex                                                             
  C6H5Br-C6H6 complex                                                             
  C6H5I-C6H6 complex                                                              
  a0_Guanine-cytosine_WC_well_separated                                           
  a0_Guanine-cytosine_WC                                                          
  a0_Guanine-cytosine_WC r                                                        
  a1_Guanine-cytosine_stacked_well_separated                                      
  a1_Guanine-cytosine_stacked                                                     
  a1_Guanine-cytosine_stacked r                                                   
  Adenine-4-thiouracil_separated                                                  
  Adenine-4-thiouracil                                                            
  Adenine-4-thiouracil_r                        
  01_NH3_dimer separated                                                          
  02_water_dimer separated                                                        
  03_formic_acid_dimer separated                                                  
  04_formamide_dimer separated                                                    
  05_uracil_HB separated                                                          
  06_pyridoxine_aminopyridine separated                                           
  07_adenine_thymine_WC separated                                                 
  08_CH4_dimer_well_separated                                                     
  09_Ethylene_dimer_well_separated                                                
  10_benzene_methane_well_separated                                               
  11_benzene_dimer_stack_well_separated                                           
  12_pyrazine_dimer_well_separated                                                
  13_uracil_dimer_stack_well_separated                                            
  14_indole_benzene_stack_well_separated                                          
  15_adenine_thymine_stack separated                                              
  16_Ethylene_acetylene_well_separated                                            
  17_benzene_H2O_well_separated                                                   
  18_benzene_NH3_well_separated                                                   
  19_benzene_HCN_well_separated                                                   
  20_benzene_dimer_T_well_separated                                               
  21_indole_benzene_T_well_separated                                              
  22_phenol_dimer separated                                                       
  01_NH3_dimer                                                                    
  02_water_dimer                                                                  
  03_formic_acid_dimer                                                            
  04_formamide_dimer                                                              
  05_uracil_HB                                                                    
  06_pyridoxine_aminopyridine                                                     
  07_adenine_thymine_WC                                                           
  08_CH4_dimer                                                                    
  09_Ethylene_dimer                                                               
  10_benzene_methane                                                              
  11_benzene_dimer_stack                                                          
  12_pyrazine_dimer                                                               
  13_uracil_dimer_stack                                                           
  14_indole_benzene_stack                                                         
  15_adenine_thymine_stack                                                        
  16_Ethylene_acetylene                                                           
  17_benzene_H2O                                                                  
  18_benzene_NH3                                                                  
  19_benzene_HCN                                                                  
  20_benzene_dimer_T                                                              
  21_indole_benzene_T                                                             
  22_phenol_dimer                                                                 
  01_NH3_dimer r                                                                  
  02_water_dimer r                                                                
  03_formic_acid_dimer r                                                          
  04_formamide_dimer r                                                            
  05_uracil_HB r                                                                  
  06_pyridoxine_aminopyridine r                                                   
  07_adenine_thymine_WC r                                                         
  08_CH4_dimer r                                                                  
  09_Ethylene_dimer r                                                             
  10_benzene_methane r                                                            
  11_benzene_dimer_stack r                                                        
  13_uracil_dimer_stack r                                                         
  15_adenine_thymine_stack r                                                      
  16_Ethylene_acetylene r                                                         
  17_benzene_H2O r                                                                
  18_benzene_NH3 r                                                                
  20_benzene_dimer_T r                                                            
  22_phenol_dimer r                                                               
  23_Methanol_dimer r                                                             
  24_Methanol_formaldehyde r                                                      
  01 Water - Water (Separated)                                                    
  01 Water - Water                                                                
  02 Water - Methanol (Separated)                                                 
  02 Water - Methanol                                                             
  03 Water - MeNH2 (Separated)                                                    
  03 Water - MeNH2                                                                
  04 Water - Peptide (Separated)                                                  
  04 Water - Peptide                                                              
  05 MeOH - MeOH (Separated)                                                      
  05 MeOH - MeOH                                                                  
  06 MeOH - MeNH2 (Separated)                                                     
  06 MeOH - MeNH2                                                                 
  07 MeOH - Peptide (Separated)                                                   
  07 MeOH - Peptide                                                               
  08 MeOH - Water (Separated)                                                     
  08 MeOH - Water                                                                 
  09 MeNH2 - MeOH (Separated)                                                     
  09 MeNH2 - MeOH                                                                 
  10 MeNH2 - MeNH2 (Separated)                                                    
  10 MeNH2 - MeNH2                                                                
  11 MeNH2 - Peptide (Separated)                                                  
  11 MeNH2 - Peptide                                                              
  12 MeNH2 - Water (Separated)                                                    
  12 MeNH2 - Water                                                                
  13 Peptide - MeOH (Separated)                                                   
  13 Peptide - MeOH                                                               
  14 Peptide - MeNH2 (Separated)                                                  
  14 Peptide - MeNH2                                                              
  15 Peptide - Peptide (Separated)                                                
  15 Peptide - Peptide                                                            
  16 Peptide - Water (Separated)                                                  
  16 Peptide - Water                                                              
  17 Uracil - Uracil (BP) (Separated)                                             
  17 Uracil - Uracil (BP)                                                         
  18 Water - Pyridine (Separated)                                                 
  18 Water - Pyridine                                                             
  19 MeOH - Pyridine (Separated)                                                  
  19 MeOH - Pyridine                                                              
  20 AcOH - AcOH (Separated)                                                      
  20 AcOH - AcOH                                                                  
  21 AnNH2 - AcNH2 (Separated)                                                    
  21 AnNH2 - AcNH2                                                                
  22 AcOH - Uracil (Separated)                                                    
  22 AcOH - Uracil                                                                
  23 AcNH2 - Uracil (Separated)                                                   
  23 AcNH2 - Uracil                                                               
  24 Benzene - Benzene (pi - pi) (Separated)                                      
  24 Benzene - Benzene (pi - pi)                                                  
  25 Pyridine - Pyridine (pi - pi) (Separated)                                    
  25 Pyridine - Pyridine (pi - pi)                                                
  26 Uracil - Uracil (pi - pi) (Separated)                                        
  26 Uracil - Uracil (pi - pi)                                                    
  27 Benzene - Pyridine (pi - pi) (Separated)                                     
  27 Benzene - Pyridine (pi - pi)                                                 
  28 Benzene - Uracil (pi - pi) (Separated)                                       
  28 Benzene - Uracil (pi - pi)                                                   
  29 Pyridine - uracil (pi - pi) (Separated)                                      
  29 Pyridine - uracil (pi - pi)                                                  
  30 Benzene - Ethylene (Separated)                                               
  30 Benzene - Ethylene                                                           
  31 Uracil - Ethylene (Separated)                                                
  31 Uracil - Ethylene                                                            
  32 Uracil - Ethyne (Separated)                                                  
  32 Uracil - Ethyne                                                              
  33 Pyridine - Ethylene (Separated)                                              
  33 Pyridine - Ethylene                                                          
  34 Pentane - Pentane (Separated)                                                
  34 Pentane - Pentane                                                            
  35 Neopentane - Pentane (Separated)                                             
  35 Neopentane - Pentane                                                         
  36 Neopentane - Neopentane (Separated)                                          
  36 Neopentane - Neopentane                                                      
  37 Cyclopentane - Neopentane (Separated)                                        
  37 Cyclopentane - Neopentane                                                    
  38 Cyclopentane - Cyclopentane (Separated)                                      
  38 Cyclopentane - Cyclopentane                                                  
  39 Benzene - Cyclopentane (Separated)                                           
  39 Benzene - Cyclopentane                                                       
  40 Benzene - Neopentane (Separated)                                             
  40 Benzene - Neopentane                                                         
  41 Uracil - Pentane (Separated)                                                 
  41 Uracil - Pentane                                                             
  42 Uracil - Cyclopentane (Separated)                                            
  42 Uracil - Cyclopentane                                                        
  43 Uracil - Neopentane (Separated)                                              
  43 Uracil - Neopentane                                                          
  44 Ethylene - Pentane (Separated)                                               
  44 Ethylene - Pentane                                                           
  45 Ethyne - Pentane (Separated)                                                 
  45 Ethyne - Pentane                                                             
  46 Peptide - Pentane (Separated)                                                
  46 Peptide - Pentane                                                            
  47 Benzene - Benzene (TS) (Separated)                                           
  47 Benzene - Benzene (TS)                                                       
  48 Pyridine - Pyridine (TS) (Separated)                                         
  48 Pyridine - Pyridine (TS)                                                     
  49 Benzene - Pyridine (TS) (Separated)                                          
  49 Benzene - Pyridine (TS)                                                      
  50 Benzene - Ethyne (CH - pi) (Separated)                                       
  50 Benzene - Ethyne (CH - pi)                                                   
  51 Ethyne - Ethyne (TS) (Separated)                                             
  51 Ethyne - Ethyne (TS)                                                         
  52 Benzene - AcOH (OH - pi) (Separated)                                         
  52 Benzene - AcOH (OH - pi)                                                     
  53 Benzene - AcNH2 (NH - pi) (Separated)                                        
  53 Benzene - AcNH2 (NH - pi)                                                    
  54 Benzene - Water (OH - pi) (Separated)                                        
  54 Benzene - Water (OH - pi)                                                    
  55 Benzene - MeOH (OH - pi) (Separated)                                         
  55 Benzene - MeOH (OH - pi)                                                     
  56 Benzene - MeNH2 (NH - pi) (Separated)                                        
  56 Benzene - MeNH2 (NH - pi)                                                    
  57 Benzene - Peptide (NH - pi) (Separated)                                      
  57 Benzene - Peptide (NH - pi)                                                  
  58 Pyridine - Pyridine (CH - N) (Separated)                                     
  58 Pyridine - Pyridine (CH - N)                                                 
  59 Ethyne - Water (Separated)                                                   
  59 Ethyne - Water                                                               
  60 Ethyne - AcOH (OH-pi) (Separated)                                            
  60 Ethyne - AcOH (OH-pi)                                                        
  61 Pentane - AcOH (Separated)                                                   
  61 Pentane - AcOH                                                               
  62 Pentane - AcNH2 (Separated)                                                  
  62 Pentane - AcNH2                                                              
  63 Benzene - AcOH (Separated)                                                   
  63 Benzene - AcOH                                                               
  64 Peptide - Ethylene (Separated)                                               
  64 Peptide - Ethylene                                                           
  65 Pyridine - Ethyne (Separated)                                                
  65 Pyridine - Ethyne                                                            
  66 MeNH2 - Pyridine (Separated)                                                 
  66 MeNH2 - Pyridine                                                             
  01 methane - f2 separated                                                       
  01 Methane - F2                                                                 
  02 methane - cl2 separated                                                      
  02 Methane - Cl2                                                                
  03 methane - br2 separated                                                      
  03 Methane - Br2                                                                
  04 methane - i2 separated                                                       
  04 Methane - I2                                                                 
  05 fluoromethane - methane separated                                            
  05 Fluoromethane - methane                                                      
  06 chloromethane - methane separated                                            
  06 Chloromethane - methane                                                      
  07 trifluoromethane - methane separated                                         
  07 Trifluoromethane - methane                                                   
  08 trichloromethane - methane separated                                         
  08 Trichloromethane - methane                                                   
  09 fluoromethane dimer separated                                                
  09 Fluoromethane dimer                                                          
  10 chloromethane dimer separated                                                
  10 Chloromethane dimer                                                          
  11 trifluorobenzene - benzene separated                                         
  11 Trifluorobenzene - benzene                                                   
  12 hexafluorobenzene - benzene separated                                        
  12 Hexafluorobenzene - benzene                                                  
  13 chloromethane - formaldehyde separated                                       
  13 Chloromethane - formaldehyde                                                 
  14 bromomethane - formaldehyde separated                                        
  14 Bromomethane - formaldehyde                                                  
  15 iodomethane - formaldehyde separated                                         
  15 Iodomethane - formaldehyde                                                   
  16 trifluorochloromethane - formaldehyde separated                              
  16 Trifluorochloromethane - formaldehyde                                        
  17 trifluorobromomethane - formaldehyde separated                               
  17 Trifluorobromomethane - formaldehyde                                         
  18 trifluoroiodomethane - formaldehyde separated                                
  18 Trifluoroiodomethane - formaldehyde                                          
  19 chlorobenzenezene - acetone separated                                        
  19 Chlorobenzenezene - acetone                                                  
  20 bromobenzenezene - acetone separated                                         
  20 Bromobenzenezene - acetone                                                   
  21 iodobenzenezene - acetone separated                                          
  21 Iodobenzenezene - acetone                                                    
  22 chlorobenzenezene - trimethylamine separated                                 
  22 Chlorobenzenezene - trimethylamine                                           
  23 bromobenzenezene - trimethylamine separated                                  
  23 Bromobenzenezene - trimethylamine                                            
  24 iodobenzenezene - trimethylamine separated                                   
  24 Iodobenzenezene - trimethylamine                                             
  25 bromobenzenezene - methanethiol separated                                    
  25 Bromobenzenezene - methanethiol                                              
  26 iodobenzenezene - methanethiol separated                                     
  26 Iodobenzenezene - methanethiol                                               
  27 bromomethane - benzene separated                                             
  27 Bromomethane - benzene                                                       
  28 iodomethane - benzene separated                                              
  28 Iodomethane - benzene                                                        
  29 trifluorobromomethane - benzene separated                                    
  29 Trifluorobromomethane - benzene                                              
  30 trifluoroiodomethane - benzene separated                                     
  30 Trifluoroiodomethane - benzene                                               
  31 trifluoromethanol - water separated                                          
  31 Trifluoromethanol - water                                                    
  32 trichloromethanol - water separated                                          
  32 Trichloromethanol - water                                                    
  33 hf - methanol separated                                                      
  33 HF - methanol                                                                
  34 hcl - methanol separated                                                     
  34 HCl - methanol                                                               
  35 hbr - methanol separated                                                     
  35 HBr - methanol                                                               
  36 hi - methanol separated                                                      
  36 HI - methanol                                                                
  37 hf - methylamine separated                                                   
  37 HF - methylamine                                                             
  38 hcl - methylamine separated                                                  
  38 HCl - methylamine                                                            
  39 methanol - fluoromethane separated                                           
  39 methanol - fluoromethane                                                     
  40 methanol - chloromethane separated                                           
  40 methanol - chloromethane                                                     
  1 Circumcoronene adenine separated                                              
  2 Circumcoronene GC base pair separated                                         
  3 Coronene dimer separated                                                      
  4 GCGC base pair stack separated                                                
  5 Guanine trimer separated                                                      
  6 Octadecane dimer separated                                                    
  7 Phenylalanine residues trimer separated                                       
  1 Circumcoronene adenine                                                        
  2 Circumcoronene GC base pair                                                   
  3 Coronene dimer                                                                
  4 GCGC base pair stack                                                          
  5 Guanine trimer                                                                
  6 Octadecane dimer                                                              
  7 Phenylalanine residues trimer                                                 
  2a tcna tweezer separated                                                       
  2a TCNA tweezer                                                                 
  2b dcb tweezer separated                                                        
  2b DCB tweezer                                                                  
  3a tnf pincer separated                                                         
  3a TNF pincer                                                                   
  3b ndb pincer separated                                                         
  3b NDB pincer                                                                   
  4a c60 catcher separated                                                        
  4a C60 catcher                                                                  
  4b c70 catcher separated                                                        
  4b C70 catcher                                                                  
  5a glh mcyle separated                                                          
  5a GLH mcyle                                                                    
  5b bq mcyle separated                                                           
  5b BQ mcyle                                                                     
  6a bunh4 cb6 separated a
  6a bunh4 cb6 separated b
  6a bunh4 cb6                                                                  
  6b prnh4 cb6 separated                                                          
  6b PrNH4 CB6                                                                    
  7a FECP CB7 separated                                                           
  7a FECP CB7                                                                     
  7b adoh cb7 separated                                                           
  7b ADOH CB7                                                                     
  water_ref                                                                       
  water dimer structure 1 (non-planar open Cs)                                    
  water dimer structure 2 (open ci)                                               
  water dimer structure 3 (planar open Cs)                                        
  water dimer structure 4 (cyclic ci)                                             
  water dimer structure 5 (cyclic c2)                                             
  water dimer structure 6 (cyclic c2h)                                            
  water dimer structure 7 (triply hydrogen bonded Cs)                             
  water dimer structure 8 (non-planar bifurcated C2v)                             
  water dimer structure 9 (non-planar bifurcated C2v)                             
  water dimer structure 10 (planar bifurcated C2v)                                
  water dimer structure 1 (non-planar open cs)r                                   
  water dimer structure 1' (non-planar open cs)r                                  
  water dimer structure 10 (planar bifurcated c2v)r                               
  water dimer structure 2 (open ci)r                                              
  water dimer structure 3 (planar open cs)r                                       
  water dimer structure 4 (cyclic ci)r                                            
  water dimer structure 5 (cyclic c2)r                                            
  water dimer structure 6 (cyclic c2h)r                                           
  water dimer structure 7 (triply hydrogen bonded cs)r                            
  water dimer structure 8 (non-planar bifurcated c2v)r                            
  water dimer structure 9 (non-planar bifurcated c2v)r                            
  methylammonium ... methylamine separated                                        
  imidazolium ... methylamine separated                                           
  guanidinium ... methylamine separated                                           
  methylammonium ... water separated                                              
  methylammonium ... formaldehyde separated                                       
  methylammonium ... methanol separated                                           
  imidazolium ... water separated                                                 
  imidazolium ... formaldehyde separated                                          
  imidazolium ... methanol separated                                              
  guanidinium ... water separated                                                 
  guanidinium ... formaldehyde separated                                          
  guanidinium ... methanol separated                                              
  acetate ... methylamine separated                                               
  acetate ... water separated                                                     
  acetate ... methanol separated                                                  
  acetate ... methylamine                                                         
  acetate ... water                                                               
  acetate ... methanol                                                            
  methylammonium ... methylamine                                                  
  methylammonium ... water                                                        
  methylammonium ... formaldehyde                                                 
  methylammonium ... methanol                                                     
  imidazolium ... methylamine                                                     
  imidazolium ... water                                                           
  imidazolium ... formaldehyde                                                    
  imidazolium ... methanol                                                        
  guanidinium ... methylamine                                                     
  guanidinium ... water                                                           
  guanidinium ... formaldehyde                                                    
  guanidinium ... methanol    