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  Conformational energies used in paramterizing the core MMFF94 force field
  --------------------------------------------------------------------------

The "MP4SDQ/TZP" total energies, in kcal/mol, are the sum of the MP2/TZP energy 
(computed at the MP2(FULL)/6-31G* geometry) and the 6-31G# small-basis-set 
estimate of the MP3 and MP4SDQ contributions. The 6-31G# basis set differs from
standard 6-31G* in that it uses polarization exponents of 0.80 for H, 0.60, 
0.85, 1.20, and 1.65 for C, N, O, and F, and 0.50, 0.65, and 0.80 for P, S, 
and Cl.


                     Delta
                      MP3+
Conf.    MP2/TZP     MP4SDQ
Index  energy (kc)   /6-31G#  Title
--------------------------------------------------------------------------
AM02A -130956.9346  -18.3724  N-METHYL FORMAMIDE, CIS                
AM02B -130958.0448  -18.3018  N-METHYL FORMAMIDE, TRANS              
AM02J -130958.2185  -18.2998  N-METHYL ACETAMIDE H8-C4-N3-C2 = 60      
AM02K -130958.1466  -18.3098  N-METHYLAMIDE H8-C4-N3-C2 = 30 DEG       
AM02L -130958.0429  -18.3002  N-METHYLACETAMIDE H8-C4-N3-C2 0 DEG    
AM02S -130938.8356  -19.6596  N-METHYL FORMAMIDE, ~ANTI TS HNCO = 115    
AM02T -130938.5992  -19.6731  N-METHYL FORMAMIDE, ~ANTI TS HNCO = 120    
AM02U -130938.5376  -19.6753  N-METHYL FORMAMIDE, ~ANTI TS HNCO = 125    
AM02V -130938.6842  -19.6602  N-METHYL FORMAMIDE, ~ANTI TS HNCO = 130    
AM02W -130939.8538  -19.6700  N-METHYL FORMAMIDE, ~SYN TS HNCO = 55     
AM02X -130939.6150  -19.6944  N-METHYL FORMAMIDE, ~SYN TS HNCO = 60     
AM02Y -130939.7003  -19.6863  N-METHYL FORMAMIDE, ~SYN TS HNCO = 65     
AM02Z -130940.0918  -19.6580  N-METHYL FORMAMIDE, ~SYN TS HNCO = 70     
AM04A -155558.4919  -25.7395  TRANS-N-METHYL ACETAMIDE               
AM04B -155556.4951  -25.8388  CIS-N-METHYL ACETAMIDE                 
AM04J -155558.1098  -25.7810  T-NMA H8-C1-C2=O3 = 0 DEG                
AM04K -155558.4208  -25.7510  T-NMA H8-C1-C2=O3 = 30 DEG               
AM04L -155558.5692  -25.7287  T-NMA H8-C1-C2=O3 = 60 DEG               
AM04M -155556.4903  -25.8385  CIS-NMA H8-C1-C2=O3 = 0 DEG              
AM06A -141038.2536  -14.5139  UREA, PUCKERED                                   
AM06T -141035.7168  -14.3440  UREA, PLANAR                           
AM07A -177332.1037  -12.9776  N-FORMYL FORMAMIDE (CIS,CIS)                    
AM07B -177331.3989  -13.2679  N-FORMYL FORMAMIDE (CIS, TRANS)        
AM09A -236593.3884  -23.3479  GLYCINE DIPEPTIDE ANALOG, C7           
AM09B -236592.1663  -23.6571  GLYCINE DIPEPTIDE ANALOG, C5           
AM10A -261192.5513  -30.1347  ALANINE DIPEPTIDE ANALOG, C7EQ         
AM10B -261191.3664  -30.2346  ALANINE DIPEPTIDE ANALOG, C5           
AM10C -261190.3846  -30.0934  ALANINE DIPEPTIDE ANALOG, C7AX         
AM10D -261187.4114  -30.3963  ALANINE DIPEPTIDE ANALOG, ALPHA'       
AM10E -261189.5901  -30.3345  ALANINE DIPEPTIDE ANALOG, BETA-2       
AM10F -261188.3021  -30.2867  ALANINE DIPEPTIDE ANALOG, ALPHA-L      
AM12A -155555.6560  -25.4828  N-ETHYLFORMAMIDE, C-C-N-C GAUCHE       
AM12J -155554.9427  -25.6024  N-ETHYLFORMAMIDE, CCNC = 180           
AM13A -202635.0911  -27.1400  N-OH,N-methylacetamide, ONC=O TRANS    
AM13B -202636.0783  -26.1171  N-OH,N-methylacetamide, ONC=O cis      
AM14A -227232.2873  -34.3231  N-OH,N-Etacetamide, ONC=O t, CCNO g    
AM14B -227231.0851  -34.2679  N-OH,N-Etacetamide, ONC=O t, CCNO t    
AM14C -227233.5452  -33.2217  N-OH,N-Etacetamide, ONC=O c, CCNO g    
AM14D -227233.6981  -33.1538  N-OH,N-Etacetamide, ONC=O c, CCNO g    
AM15A -227230.5786  -34.3815  N-OH,N-Mepropionamide, ONC=O t CCC=O c 
AM15B -227229.8157  -34.2257  N-OH,N-Mepropionamide, ONC=O t CCC=O sk 
AM15C -227231.6513  -33.3488  N-OH,N-Mepropionamide, ONC=O c CCC=O c 
AM15D -227231.1219  -33.1558  N-OH,N-Mepropionamide, ONC=O c CCC=O sk 
AM16A -285785.1151  -37.8763  GLYCINE DIPEPTIDE ANALOG, C7           
AM16B -285782.9785  -38.3516  GLYCINE DIPEPTIDE, C5                  
AM17A -310384.3031  -44.6287  ALANINE DIPEPTIDE, C7EQ                
AM17B -310382.4465  -44.8457  ALANINE DIPEPTIDE, C5                  
AM17C -310382.1692  -44.5643  ALANINE DIPEPTIDE, C7AX                
AM17D -310378.6348  -44.9490  ALANINE DIPEPTIDE, ALPHA'              
AM17E -310380.8839  -44.8519  ALANINE DIPEPTIDE, BETA-2              
AM17F -310379.8999  -44.7797  ALANINE DIPEPTIDE, ALPHA-L             
AR23A -194517.0392  -35.0242  ETHYLBENZENE, C-C-C-C SKEW             
AR23T -194515.6175  -35.3483  ETHYLBENZENE, C-C-C-C =0 DEG           
CA01A -118830.1488   -7.5935  CIS-METHANOIC ACID                     
CA01B -118825.2116   -7.7376  TRANS-METHANOIC ACID                   
CA02A -143431.9978  -15.1863  CIS-ETHANOIC ACID                      
CA02B -143425.9489  -15.3809  TRANS-ETHANOIC ACID                    
CA03A -168027.6522  -22.4862  PROPANOIC ACID, C-C-C=O CIS                         
CA03B -168026.8861  -22.3976  PROPANOIC ACID, C-C-C=O SKEW               
CA04A -189783.0144  -10.4644  GLYOXYLIC ACID, O=C-C=O TRANS, O=C-O-H CIS                         
CA04B -189783.5576  -10.2696  GLYOXYLIC ACID, O=C-C=O TRANS, O=C-O-H TRANS           
CA05A -190541.0902  -15.9324  GLYCOLIC ACID, O=C-C-O CIS                         
CA05B -190539.3961  -15.9921  GLYCOLIC ACID, O=C-C-O SKEW       
CA07A -167261.2764  -18.2095  PROPENOIC ACID, C=C-C=O TRANS                         
CA07B -167261.5595  -18.1399  PROPENOIC ACID, C=C-C=O CIS            
CA08A -236920.6514   -8.6976  OXALIC ACID, HOC=O  TRANS, TRANS                            
CA08B -236918.1388   -8.9918  OXALIC ACID, HOC=O  CIS, CIS                    
CA08C -236918.7457   -8.9502  OXALIC ACID, HOC=O CIS, TRANS          
CA09A -214388.0063  -17.3164  PYRUVIC ACID, H-O-C=0 TRANS            
CA09B -214386.0964  -17.5582  PYRUVIC ACID, H-O-C=O CIS              
CE01A -143415.2384  -15.2774  CIS-METHYL FORMATE                     
CE01B -143409.4974  -15.3694  TRANS-METHYL FORMATE                   
CE01J -143409.6239  -15.4728  TRANS-METHYL FORMATE, H8-C3-O2-C1 = 180  
CE01K -143409.5526  -15.4183  TRANS-METHYL FORMATE H8-C3-O2-C1 = 150   
CE01L -143409.4974  -15.3693  TRANS-METHYL FORMATE H8-C3-O2-C1 = 120   
CE02A -168008.4705  -22.9551  TRANS-METHYL ACETATE                   
CE02B -168016.8102  -22.8295  CIS-METHYL ACETATE                     
CE05A -167245.9562  -18.6065  VINYL FORMATE, C=C-O-C TRANS                          
CE05B -167243.2800  -18.4918  VINYL FORMATE, C=C-O-C CIS                  
CE06A -168013.3587  -22.6713  CIS-ETHYL FORMATE, C-O-C-C ANTI        
CE06B -168013.1352  -22.5574  CIS-ETHYL FORMATE, C-O-C-C GAUCHE      
CE07A -192612.5471  -29.5732  ISOPROPYL FORMATE, C-C-O-C = G, A      
CE07B -192610.0960  -29.5986  ISOPROPYL FORMATE, C-C-O-C = G, G      
CE08A -288005.0516  -30.7260  PHENYL ACETATE, O=C-O-C CIS                        
CE08B -288001.0713  -30.4042  PHENYL ACETATE, O=C-O-C TRANS     
CE10A -215126.4040  -23.5908  METHYL GLYCOLATE, O=C-C-O CIS                      
CE10B -215124.8942  -23.6174  METHYL GLYCOLATE, O=C-C-O SKEW         
CJ01A  -97593.2163  -26.4848  GAUCHE-1,3-BUTADIENE                   
CJ01B  -97595.6895  -26.4005  ANTI-1,3-BUTADIENE                     
CJ01T  -97591.9963  -26.6013  CIS-1,3-BUTADIENE, T-STATE             
CJ02A -122191.9912  -32.9905  2-METHYL-1,3-BUTADIENE, C=C-C=C GAUCHE 
CJ02B -122194.3230  -32.8599  2-METHYL-1,3-BUTADIENE, C=C-C=C TRANS  
CJ03A -169322.3623  -32.6593  2-METHYL-BUT-1-ENE-3-ONE, C=C-C=O CIS  
CJ03B -169324.5188  -32.5739  2-METHYL-BUT-1-ENE-3-ONE, C=CC=O TRANS 
CJ04A -179396.4149  -28.0851  2-METHYLPROPENAMIDE, C=C-C=O CIS       
CJ04B -179397.4958  -28.0572  2-METHYLPROPENAMIDE, C=C-C-O SKEW      
CJ05A -154798.6357  -21.5546  PROPENAMIDE, C=C-C=O CIS               
CJ05B -154798.0040  -21.5826  PROPENAMIDE, C=C-C=O SKEW          
CJ06A -144724.9295  -26.1359  BUT-1-ENE-3-ONE, C=C-C=O CIS           
CJ06B -144725.3746  -26.1202  BUT-1-ENE-3-ONE, C=C-C=O TRANS         
CJ07A -120122.7731  -18.9471  CIS-ACROLEIN                           
CJ07B -120124.8914  -18.8559  TRANS-ACROLEIN                         
CJ08A -144721.3562  -25.6190  2-METHYL-PROPENAL, C=C-C=O CIS         
CJ08B -144724.7618  -25.3580  2-METHYL-PROPENAL, C=C-C=O TRANS       
CJ09A -191860.3513  -24.7509  2-METHYLPROPENOIC ACID, C=C-C=O TRANS  
CJ09B -191859.8206  -24.6832  2-METHYLPROPENOIC ACID, C=C-C=O CIS    
CJ12A -218351.7596  -36.9580  2-PHENYLPROPENE, C=C-C-C NONPLANAR     
CJ12J -218350.2820  -37.0909  2-PHENYLPROPENE, PLANAR                
CJ13A -122194.0381  -33.1114  1,3-PENTADIENE, C=C-C=C S-TRANS                         
CJ13B -122191.4916  -33.2249  1,3-PENTADIENE, C=C-C=C GAUCHE         
CJ13C -122192.7557  -33.1234  1,3-PENTADIENE, C-C=C-C CIS            
CO03A -120888.8909  -23.3983  CIS-PROPIONALDEHYDE                    
CO03B -120888.0480  -23.4033  SKEW-PROPIONALDEHYDE                   
CO05A -145490.6073  -30.5923  N-BUTANONE C-C-C=O CIS          
CO05B -145489.7554  -30.4565  N-BUTANONE C-C-C=O SKEW                
CO05J -145490.6079  -30.5916  N-BUTANONE, C-C-C=O = 0 DEG            
CO05K -145490.1709  -30.5742  N-BUTANONE, C-C-C=O = 30 DEG           
CO05L -145489.5998  -30.4989  N-BUTANONE, C-C-C=O = 60 DEG           
CO05M -145489.7523  -30.4621  N-BUTANONE, C-C-C=O = 90 DEG           
CO05N -145489.6073  -30.5122  N-BUTANONE, C-C-C=O = 120 DEG          
CO05O -145489.1238  -30.5934  N-BUTANONE, C-C-C=O = 150 DEG          
CO05P -145488.1535  -30.6778  N-BUTANONE, C-C-C=O = 180 DEG      
CO06A -170087.4265  -37.1903  METHYL ISOPROPYL KETONE, O=C-C(CH3)2-H TRANS 
CO06B -170086.7039  -37.2202  METHYL ISPROPYL KETONE, O=C-C(CH3)2-H CIS 
CO07A -145484.1358  -30.6647  BUTYRALDEHYDE, C-C-C-C ANTI            
CO07B -145484.1154  -30.5519  BUTYRALDEHYDE, C-C-C-C GAUCHE          
CO08A -144717.5223  -26.7246  BUT-3-ENEAL C=C-C-C SK, C-C-C=O CIS               
CO08B -144717.5168  -26.6429  BUT-3-ENEAL C=C-C-C SK-, C-C-C=O SK+             
CO08C -144717.9505  -26.4982  BUT-3-ENEAL C=C-C-C SK+, C-C-C=O SK+    
CO09A -169316.6492  -33.1260  3-METHYL-BUT-3-ENAL, C=C-C-C SK, CCC=O CIS       
CO09B -169317.4325  -32.7702  3-METHYL-BUT-3-ENEAL C=CCC SK, CCC=O SK  
CO10A -145485.7876  -30.1983  ISOBUTYRALDEHYDE, H-C2-C4-H GAUCHE     
CO10B -145485.4625  -30.1551  ISOBUTYRALDEHYDE, H-C2-C4-H ANTI       
CO10J -145484.3390  -30.1143  ISOBUTYRALDEHYDE, H-C2-C4-H = 0 DEG    
CO10K -145485.1634  -30.1132  ISOBUTYRALDEHYDE, H-C2-C4-H = 30 DEG   
CO10L -145485.7873  -30.1982  ISOBUTYRALDEHYDE, H-C2-C4-H = 60 DEG   
CO10M -145484.9193  -30.3191  ISOBUTYRALDEHYDE, H-C2-C4-H = 90 DEG   
CO10N -145484.2636  -30.3344  ISOBUTYRALDEHYDE, H-C2-C4-H = 120 DEG  
CO10O -145484.9138  -30.2236  ISOBUTYRALDEHYDE, H-C2-C4-H = 150 DEG  
CO10P -145485.4625  -30.1551  ISOBUTYRALDEHYDE, H-C2-C4-H = 180 DEG  
CO11A -144722.3159  -25.1336  CYCLOBUTANONE, PUCKERED                
CO11T -144721.8693  -25.3319  CYCLOBUTANONE, PLANAR                  
CO12A -238968.2008  -25.8064  2-FORMYL PROPANAL, O-C-C-C(=O) ANTI                      
CO12B -238968.4756  -25.7110  2-FORMYL PROPANAL, O-C-C-C(=O) GAUCHE    
CO13A -191845.3435  -26.4213  4-OXOBUTANAL, O=CCC,CCC=O CIS, CCCC S-TRANS  
CO13B -191846.2807  -26.1890  4-OXOBUTANAL, O=CCC,CCC=O CIS, CCCC GAUCHE  
CO14A -191853.5239  -25.8723  DIMETHYLGLYOXAL, S-TRANS                 
CO14B -191848.0213  -25.9696  DIMETHYLGLYOXAL, CISOID                
CO14T -191847.4879  -25.9411  DIMETHYLGLYOXAL, CIS, TSTATE           
HL04A -174279.8702  -19.0098  1,2-DIFLUOROETHANE, ANTI                     
HL04B -174280.5535  -18.9095  1,2-DIFLUOROETHANE, GAUCHE                 
HL05A -626054.7549  -29.4833  1,2-DICHLOROETHANE, ANTI                     
HL05B -626053.4684  -29.4828  1,2-DICHLOROETHANE, GAUCHE             
HL08A -386420.7148  -33.2700  CHLOROCYCLOBUTANE                      
HL08J -386416.4511  -34.0074  CHLOROCYCLOBUTANE, PLANAR              
HL09A -136703.1117  -26.9221  1-FLUOROPROPANE, ANTI                    
HL09B -136703.1657  -26.8989  1-FLUOROPROPANE, GAUCHE                  
HL10A -362589.9507  -32.1603  1-CHLOROPROPANE, ANTI                    
HL10B -362589.9579  -32.1235  1-CHLOROPROPANE, GAUCHE                  
IM01A  -93892.8711  -15.4040  FORMAMIDINE, H-N=C-N CIS, N PUCKERED   
IM01B  -93895.0477  -15.2538  FORMAMIDINE, H-N=C-N ANTI, N-PUCKERED  
IM01T  -93892.1914  -15.2038  FORMAMIDINE, H-N=C-N CIS, N PLANAR     
IM02A  -83817.9819  -19.8405  N-METHYLFORMALDEHYDEIMINE, H-C-N=C CIS              
IM02T  -83815.8189  -19.9392  N-METHYLFORMALDEHYDEIMINE, H-C-N=C = 180  
IM04A -118483.3826  -21.9562  N-METHYLFORMAMIDINE, N-C=N-C CIS, N-PUCKERED        
IM04B -118485.2704  -22.0642  N-METHYLFORMAMIDINE, N-C=N-C TRANS, N-PUCKERED  
IM04T -118482.6767  -21.7658  N-METHYLFORMAMIDINE, N-C=N-C CIS, N-PLANAR            
IM05A -128559.7633  -18.4464  GUANIDINE, N-PUCKERED                  
IM05T -128554.6739  -18.1462  GUANIDINE, PLANAR                      
IM06A -153149.1462  -25.0303  N2-METHYLGUANIDINE, N-PUCKERED         
IM06T -153143.8557  -24.7302  N2-METHYLGUANADINE, PLANAR             
IM07A -107658.4075  -22.7781  BUTADIENE SCHIFF BASE, S-TRANS, HNCC C   
IM07B -107656.6874  -22.7611  BUTADIENE SCHIFF BASE, S-CIS, HNCC T     
KT02A -241784.6089  -45.2037  EQ 2-METHOXY-TETRAHYDROPYRAN, ME-O-C-C ANTI   
KT02B -241786.0974  -45.0167  AX 2-METHOXY-TETRAHYDROPYRAN, ME-O-C-C ANTI   
KT03A -168735.4118  -29.2176  2,4-DIOXAPENTANE GAUCHE+,GAUCHE+         
KT03B -168732.8143  -29.3833  2,4 DIOXAPENTANE ANTI,GAUCHE          
KT04A -241790.0647  -44.9964  2,5-DIMETHYL-1,3-DIOXANE (5-EQ)        
KT04B -241789.5918  -44.8359  2,5-DIMETHYL-1,3-DIOXANE (5-AXIAL)     
KT05A -144150.3717  -21.6634  METHOXYMETHANOL, COCO G+, HOCO G+      
KT05B -144148.0880  -21.6886  METHOXYMETHANOL, COCO G+, HOCO G-      
NC03A  -84810.5644  -25.7768  N-ETHYLAMINE CATION                    
NC03T  -84807.8964  -25.8763  N-ETHYLAMINE CATION, H11-N3-C2-C1=0    
NC05A -109407.0349  -33.0091  N-PROPLYAMINE CATION, GAUCHE                   
NC05B -109407.0732  -33.0420  N-PROPYLAMINE CATION, ANTI             
NC07A -177992.6457  -34.8291  ETHYLGUANIDINE CATION, C-C-N=C ANTI                  
NC07B -177992.2562  -34.6013  ETHYLGUANIDINE CATION, C-C-N=C GAUCHE          
NC11A -118724.5193  -24.4099  N-METHYLFORMAMIDINE CATION, C-N-C=N CIS             
NC11B -118723.1322  -24.5327  N-METHYLFORMAMIDINE CATION, C-N-C=N TRANS      
NH02A -109178.6039  -31.6006  ANTI-PROPYLAMINE                       
NH02B -109178.3237  -31.5484  GAUCHE-PROPYLAMINE                     
NH03A -109181.6428  -31.2712  ISOPROPYLAMINE - C1 (H-C-N-LP GAUCHE)    
NH03B -109182.1782  -31.2393  ISOPROPYLAMINE - CS (H-C-N-LP ANTI) 
NH03J -109179.3661  -31.3092  ISOPROPYLAMINE, H-C-N-H12 = 120 DEG    
NH03K -109180.7257  -31.2611  ISOPROPYLAMINE, H-C-N-H12 = 150 DEG    
NH03L -109181.6521  -31.2710  ISOPROPYLAMINE, H-C-N-H12 = 180 DEG    
NH03M -109180.4514  -31.3298  ISOPROPYLAMINE, H-C-N-H12 = 210 DEG    
NH03N -109179.3373  -31.3494  ISOPROPYLAMINE, H-C-N-H12 = 240 DEG    
NH03O -109180.8530  -31.2655  ISOPROPYLAMINE, H-C-N-H12 = 270 DEG    
NH03P -109182.1755  -31.2384  ISOPROPYLAMINE, H-C-N-H12 = 300 DEG    
NH04A -182226.1268  -46.8110  EQUATORIAL-CYCLOHEXYLAMINE             
NH04B -182225.5704  -46.6790  AXIAL-CYCLOHEXYLAMINE                  
NH06A -108405.1067  -26.1327  EQUATORIAL AZETIDINE                   
NH06J -108402.2250  -26.6916  AZETIDINE, RING PLANAR                 
NH07A -157622.0947  -40.0115  EQUATORIAL-PIPERIDINE                  
NH07B -157621.2207  -40.0957  AXIAL-PIPERIDINE                       
NH09A -182215.4212  -46.4787  EQUATORIAL-N-METHYL PIPERIDINE         
NH09B -182211.7690  -46.5482  AXIAL-N-METHYL PIPERIDINE              
NH10A  -35400.8855   -9.2278  AMMONIA                                
NH10T  -35395.8316   -8.7708  AMMONIA, PLANAR                        
NH11A  -84583.1674  -24.3436  ETHYLAMINE                             
NH11B  -84583.0841  -24.3461  ETHYLAMINE, C-C-N-LP ANTI              
NH14A -179980.4906  -24.8859  ANILINE, N PUCKERED                    
NH14T -179978.3445  -24.8120  ANILINE, PLANAR                        
NH15A -133020.8103  -32.8860  PYRROLIDINE, N-H EQ                            
NH15J -133014.9963  -33.4684  PYRROLIDINE -- RING PLANAR             
NH16A -108412.9530  -27.6292  3-AMINOPROPENE, C=C-C-N SKEW, C-C-N-LP GAUCHE           
NH16B -108412.3823  -27.6997  3-AMINOPROPENE, C=C-C-N CIS, C-C-N-LP GAUCHE          
NH16C -108412.8367  -27.5970  3-AMINOPROPENE, C=C-C-N SKEW, C-C-N-LP ANTI          
NH17A -133012.1209  -34.1151  2-ME,3-AMINOPROPENE, C=C-C-N SK, C-C-N-LP GAUCHE      
NH17B -133011.3100  -34.2620  2-ME,3-AMINOPROPENE, C=C-C-N CIS, C-C-N-LP GAUCHE   
NH18A -119233.6845  -28.4224  ETHYLENEDIAMINE, N-C-C-N ANTI                        
NH18B -119235.2803  -28.2150  ETHYLENEDIAMINE, N-C-C-N GAUCHE        
NH19A -204569.3274  -31.7564  N-METHYLANILINE, N-PUCKERED            
NH19T -204567.8008  -31.7890  N-METHYLANILINE, N PLANAR              
NH20A -156238.6333  -32.3532  METHYLETHYLAMINE OXIDE, CNCC ANTI      
NH20B -156237.1712  -32.4367  METHYLETHYLAMINE OXIDE, CNCC GAUCHE    
NH21A -156257.5472  -32.6676  METHYLETHYLHYDROXYLAMINE, CNCC ANTI    
NH21B -156255.8386  -32.6849  METHYLETHYLHYDROXYLAMINE, CNCC GAUCHE  
NH22A -131641.3735  -25.5235  ETHYLAMINE N-OXIDE ONCC GAUCHE         
NH22B -131640.5659  -25.6473  ETHYLAMINE N-OXIDE, ONCC ANTI          
NH23A -131663.8906  -25.8589  ETHYLHYDROXYLAMINE, ONCC GAUCHE        
NH23B -131663.6859  -25.8651  ETHYLHYDROXYLAMINE, ONCC ANTI          
OH02A  -97042.6626  -21.1690  GAUCHE-ETHANOL                         
OH02B  -97042.6414  -21.1366  TRANS-ETHANOL                          
OH02J  -97041.1661  -21.2086  ETHANOL, C-C-O-H = 0 DEG               
OH02K  -97042.0240  -21.1816  ETHANOL, C-C-O-H = 30 DEG              
OH02L  -97042.6826  -21.1678  ETHANOL, C-C-O-H = 60 DEG              
OH02M  -97041.9201  -21.1960  ETHANOL, C-C-O-H = 90 DEG              
OH02N  -97041.4325  -21.2000  ETHANOL, C-C-O-H = 120 DEG             
OH02O  -97042.1391  -21.1603  ETHANOL, C-C-O-H = 150 DEG             
OH02P  -97042.6420  -21.1363  ETHANOL, C-C-O-H = 180 DEG             
OH03A -121638.1111  -28.4599  N-PROPANOL (C-C-O-H G; C-C-C-O A)        
OH03B -121637.9260  -28.4226  N-PROPANOL (C-C-O-H G+; C-C-C-O G-)     
OH03C -121638.1158  -28.4101  N-PROPANOL (C-C-O-H G+, C-C-C-O G+)     
OH03D -121637.9178  -28.4591  N-PROPANOL (C-C-O-H A; C-C-C-O A) 
OH03E -121638.0968  -28.3781  N-PROPANOL (C-C-O-H A; C-C-C-O G)      
OH04A -121642.1330  -28.2186  ANTI-GAUCHE ISOPROPANOL                
OH04B -121641.9006  -28.2589  GAUCHE-GAUCHE ISOPROPANOL              
OH04J -121640.6648  -28.2899  ISOPROPANOL, HCOH = 0 DEG              
OH04K -121641.2703  -28.2604  ISOPROPANOL, HCOH = 30 DEG             
OH04L -121642.1062  -28.2193  ISOPROPANOL, HCOH = 60 DEG             
OH04M -121641.6889  -28.2242  ISOPROPANOL, HCOH = 90 DEG             
OH04N -121640.7170  -28.2766  ISOPROPANOL, HCOH = 120 DEG            
OH04O -121641.2733  -28.2735  ISOPROPANOL, HCOH = 150 DEG            
OH04P -121641.8986  -28.2577  ISOPROPANOL, HCOH = 180 DEG            
OH06A -170083.0794  -36.9024  EQ CYCLOPENTANOL, CS                  
OH06B -170083.3133  -36.7312  AX CYCLOPENTANOL, CS         
OH06C -170083.0880  -36.8700  EQ CYCLOPENTANOL, C1           
OH06D -170084.4248  -36.6685  AX CYCLOPENTANOL, C1                
OH06J -170076.9619  -37.4400  CYCLOPENTANOL, RING PLANAR, CS 
OH07A -194685.9117  -43.8801  EQ CYCLOHEXANOL, CS                    
OH07B -194684.9817  -43.8459  AX CYCLOHEXANOL, CS                     
OH07C -194686.1253  -43.8432  EQ CYCLOHEXANOL, C1                    
OH07D -194685.8656  -43.7750  AX CYCLOHEXANOL, C1                     
OH10A  -96279.5388  -16.9314  trans-VINYL ALCOHOL                    
OH10B  -96281.1807  -16.7229  cis-VINYL ALCOHOL                      
OH11A -217030.8927  -29.0069  BENZYL ALCOHOL, H-O-C-C GAUCHE                         
OH11B -217029.7488  -29.0211  BENZYL ALCOHOL, H-O-C-C ANTI           
OH12A -120870.8294  -24.5649  PROPEN-3-OL, C=C-C-O SKEW, C-C-O-H A   
OH12B -120870.8700  -24.6480  PROPEN-3-OL, C=C-C-O CIS, C-C-O-H A    
OH12C -120872.1678  -24.4650  PROPEN-3-OL, C=C-C-O SKEW, C-C-O-H G   
OH13A -145470.2558  -31.0885  2-ME-PROPEN-3-OL, C=CCO SKEW, CCOH A   
OH13B -145469.7302  -31.2354  2-ME-PROPEN-3-OL, C=C-C-O C, CCOH A    
OH14A -146237.6038  -35.4172  SEC-BUTANOL, GA/AG                     
OH14B -146237.4883  -35.4328  SEC-BUTANOL, GA/GA                     
OH14C -146237.3897  -35.4589  SEC-BUTANOL, GA/GG                     
OH14D -146237.1172  -35.4294  SEC-BUTANOL, AG/AG                     
OH14E -146237.3282  -35.4034  SEC-BUTANOL, AG/GA                     
OH14F -146237.0146  -35.4476  SEC-BUTANOL, AG/GG                     
OH14G -146236.8926  -35.3856  SEC-BUTANOL, GG/AG                     
OH14H -146237.0666  -35.3829  SEC-BUTANOL, GG/GA                     
OH14I -146236.4397  -35.4515  SEC-BUTANOL, GG/GG                     
OH14R -146232.0470  -35.5777  SEC-BUTANOL, CM/AG, APPROX TS          
OH14S -146231.2845  -35.6585  SEC-BUTANOL, CM/GG, APPROX TS          
OH14T -146235.8387  -35.4903  SEC-BUTANOL, GA/CM, APPROX TS          
OH14U -146236.3551  -35.4785  SEC-BUTANOL, GA/MP, APPROX TS          
OH14V -146236.3319  -35.4643  SEC-BUTANOL, GA/PC, APPROX TS          
OH14W -146234.2855  -35.5552  SEC-BUTANOL, MP/AG, APPROX TS          
OH14X -146233.6838  -35.5964  SEC-BUTANOL, MP/GG, APPROX TS          
OH14Y -146232.3793  -35.5627  SEC-BUTANOL, PC/AG, APPROX TS          
OH14Z -146232.3676  -35.5940  SEC-BUTANOL, PC/GG, APPROX TS          
OH15A -144151.7817  -22.1152  1,2-ETHANDIOL (O-C, C-C, C-O all anti) 
OH15B -144154.7476  -21.8506  1,2-ETHANEDIOL (O-C g-, C-C g, C-O a)  
OH15C -144154.2723  -21.8362  1,2-ETHANDIOL (O-C G-, C-C G, C-O G)   
OH15D -144153.1994  -21.9984  1,2-ETHANEDIOL (O-C g, C-C g-, C-O g)  
OR01A -121628.8533  -28.6555  ANTI-METHYL-ETHYL-ETHER                
OR01B -121627.4049  -28.6945  GAUCHE-METHYL-ETHYL-ETHER              
OR02A -120867.1175  -24.0571  CIS-METHYL VINYL ETHER                 
OR02B -120864.4401  -24.4632  SKEW-METHYL VINYL ETHER                
OR03A -146227.3754  -35.9938  DIETHYL ETHER, ANTI, ANTI             
OR03B -146225.8816  -36.0172  DIETHYL ETHER, ANTI, GAUCHE            
OR04A -219268.8725  -51.2640  EQUATORIAL-METHOXYCYCLOHEXANE, CS      
OR04B -219271.1663  -51.0689  AXIAL-METHOXYCYCLOHEXANE, C1           
OR04C -219270.9543  -51.2750  EQUATORIAL-METHOXYCYCLOHEXANE, C1      
OR05A -120862.3440  -23.5964  OXETANE, C2                                
OR05T -120862.2833  -23.7400  OXETANE, PLANAR                        
OR07A -145478.2693  -30.2110  TETRAHYDROFURAN, C2                    
OR07T -145473.5641  -30.7178  TETRAHYDROFURAN, RING PLANAR              
OR11A -167989.0305  -23.9878  DIOXOLANE, C2                          
OR11T -167984.9966  -24.4094  DIOXOLANE, RING PLANAR                    
OR13A -146226.9794  -35.6697  METHYL ISOPROPYL ETHER, H-C-O-CH3 GAUCHE   
OR13B -146225.0257  -35.7193  METHYL ISOPROPYL ETHER, H-C-O-CH3 ANTI   
OR14A -217023.3030  -29.2902  METHYL PHENYL ETHER                    
OR14J -217021.3464  -29.3398  METHYL PHENYL ETHER, C-O-C-C = 90      
RA02A  -49932.0822  -20.3186  ETHANE                                 
RA02T  -49929.0522  -20.4370  ETHANE, ECLIPSED                       
RA04A  -99123.0838  -34.8692  ANTI-BUTANE                            
RA04B  -99122.4745  -34.8252  GAUCHE-BUTANE                          
RA04T  -99117.1425  -35.0221  CIS-BUTANE, C-C-C-C = 0 DEG            
RA06A  -98353.7605  -29.2795  CYCLOBUTANE                            
RA06T  -98350.7622  -29.8632  CYCLOBUTANE, RING PLANAR                    
RA07A -122969.4553  -36.1233  CYCLOPENTANE, HALF-CHAIR (C2)        
RA07T -122963.6832  -36.7269  CYCLOPENTANE, RING PLANAR                 
RA08A -147571.1482  -43.2516  CYCLOHEXANE -- CHAIR                   
RA08B -147564.9323  -43.3310  CYCLOHEXANE -- TWIST-BOAT (C2)         
RA10A -172169.2454  -49.9851  EQUATORIAL-METHYLCYCLOHEXANE           
RA10B -172167.6070  -49.9372  AXIAL-METHYLCYCLOHEXANE                
RA12A -148316.2912  -48.3058  2,3-DIMETHYLBUTANE                     
RA12B -148316.3740  -48.2659  2,3-DIMETHYLBUTANE, H-C2-C3-H ANTI     
RA14A -196750.1140  -58.3269  Cyclooctane, "crown" conformation (D4d)
RA14B -196752.6549  -57.7833  Cyclooctane, "Boat-chair" (Cs)         
RA14C -196750.9099  -57.8192  Cyclooctane, "Twist-boat-chair" (C2)   
RA14D -196749.7452  -57.7239  Cyclooctane (S4)                       
RA15A -122952.0826  -36.1430  METHYLCYCLOBUTANE - EQUATORIAL         
RA15B -122951.2669  -36.1829  METHYLCYCLOBUTANE - AXIAL              
RA15J -122949.0904  -36.6657  METHYLCYCLOBUTANE - RING PLANAR        
RA16A -221343.8384  -65.1236  Cyclononane, [144] (C2)                
RA16B -221346.2231  -64.7041  Cyclononane, [333] (D3)                
RA16C -221344.9080  -65.0339  Cyclononane, [225] (C2)                
RA16D -221342.3782  -64.9036  Cyclononane, [234] (C1)                
RA16E -221342.5148  -65.0394  Cyclononane, (C1) (A)                  
RE03A  -98357.2587  -30.9463  CIS-1-BUTENE                           
RE03B  -98357.6276  -30.8373  SKEW-1-BUTENE                          
RE04A -122953.2655  -38.0399  1-PENTENE, C-C-C-C ANTI                
RE04B -122952.7551  -37.9329  1-PENTENE, C-C-C-C GAUCHE              
RE05A -122956.2596  -37.3516  2-METHYL-1-BUTENE, C=C-C-C SKEW        
RE05B -122956.1449  -37.4889  2-METHYL-1-BUTENE, C=C-C-C CIS         
RE07A -122187.3331  -34.0269  1,4-PENTADIENE, C=C-C-C SK+,SK-                         
RE07B -122187.7367  -33.9577  1,4-PENTADIENE, C=C-C-C SK-,SK-        
RE08A  -98359.9258  -30.6831  TRANS-2-BUTENE                         
RE08B  -98358.6132  -30.7230  CIS-2-BUTENE                           
RE10A -122955.4975  -37.6898  TRANS-2-PENTENE                        
RE10B -122954.1769  -37.7011  CIS-2-PENTENE                          
SR02A -299470.3357  -27.5918  ETHANETHIOL,C-C-S-H GAUCHE             
SR02B -299469.6048  -27.5809  ETHANETHIOL, C-C-S-H ANTI              
SR04A -573603.7950  -40.8783  ETHYLMETHYLDISULFIDE, C-C-S-S-GAUCHE   
SR04B -573602.9863  -40.9312  ETHYLMETHYLDISULFIDE, C-C-S-S ANTI     
SR07A -394863.2334  -27.7986  THIOPHENOL, NONPLANAR                  
SR07T -394863.0478  -27.8095  THIOPHENOL, PLANAR                     
SR08A -419458.7099  -33.9050  METHYL PHENYL SULFIDE, C-C-S-C CA 90   
SR08T -419458.4612  -33.9606  METHYL PHENYL SULFIDE, C-C-S-C CIS     
SR09A -324066.4563  -34.7617  1-PROPYLTHIOL, S-C-C-C A, H-S-C-C G                          
SR09B -324066.1860  -34.7319  1-PROPYLTHIOL, S-C-C-C G, H-S-C-C G    
SR09C -324065.2895  -34.7022  1-PROPYLTHIOL, S-C-C-C G, H-S-C-C A    
SR11A -549006.6480  -34.7080  1,2-ETHANEDITHIOL, ALL TRANS           
SR11B -549005.8009  -34.6451  1,2-ETHANEDITHIOL, HSCC A,A SCCS G     
SR11C -549007.6611  -34.5602  1,2-ETHANEDITHIOL, HSCC A,G; SCCS G    
SR12A -348660.9163  -41.2298  METHYL PROPYL SULFIDE, CSCC G, SCCC A  
SR12B -348660.9239  -41.1358  METHYL PROPYL SULFIDE, CSCC G-, SCCC G-  
SR12C -348660.3047  -41.1834  METHYL PROPYL SULFIDE, CSCC A, SCCC G  
SR12D -348660.6266  -41.2667  METHYL PROPYL SULFIDE, CSCC A, SCCC A  
Modified: Wed Nov 25 01:09:00 1998 GMT
Page accessed 16697 times since Sat Apr 17 21:16:55 1999 GMT