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	hartrees
Energy at 0K	-177.427614
Energy at 298.15K
HF Energy	-176.896943
Nuclear repulsion energy	67.687698

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3357	3357
2	A'	3269	3269
3	A'	3244	3244
4	A'	1729	1729
5	A'	1435	1435
6	A'	1357	1357
7	A'	1204	1204
8	A'	957	957
9	A'	481	481
10	A"	998	998
11	A"	879	879
12	A"	753	753

Atom	x (Å)	y (Å)
C1	0.000	0.428
C2	1.186	-0.163
F3	-1.145	-0.256
H4	-0.163	1.499
H5	1.276	-1.239
H6	2.076	0.447

	C1	C2	F3	H4	H5	H6
C1		1.3253	1.3338	1.0830	2.0995	2.0764
C2	1.3253		2.3335	2.1402	1.0800	1.0788
F3	1.3338	2.3335		2.0108	2.6137	3.2974
H4	1.0830	2.1402	2.0108		3.0928	2.4737
H5	2.0995	1.0800	2.6137	3.0928		1.8661
H6	2.0764	1.0788	3.2974	2.4737	1.8661

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.254	C1	C2	H6	119.110
C2	C1	F3	122.694	C2	C1	H4	125.113
F3	C1	H4	112.192	H5	C2	H6	119.636

All results from a given calculation for CH₂CHF (Ethene, fluoro-)

using model chemistry: ROMP2/6-31G(2df,p)

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	C	0.187
2	C	-0.438
3	F	-0.237
4	H	0.153
5	H	0.171
6	H	0.164

<r²>	42.690
(<r²>)^1/2	6.534

All results from a given calculation for CH2CHF (Ethene, fluoro-)

using model chemistry: ROMP2/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₂CHF (Ethene, fluoro-)