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	hartrees
Energy at 0K	-177.327151
Energy at 298.15K
HF Energy	-176.880418
Nuclear repulsion energy	67.136546

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3309	3125	4.10
2	A'	3252	3070	10.07
3	A'	3213	3034	0.72
4	A'	1756	1658	77.51
5	A'	1457	1376	5.18
6	A'	1360	1284	0.71
7	A'	1202	1135	84.14
8	A'	962	908	32.49
9	A'	485	458	4.43
10	A"	966	913	34.35
11	A"	871	822	44.50
12	A"	730	689	0.09

Atom	x (Å)	y (Å)
C1	0.000	0.440
C2	1.192	-0.146
F3	-1.150	-0.278
H4	-0.189	1.510
H5	1.293	-1.227
H6	2.090	0.462

	C1	C2	F3	H4	H5	H6
C1		1.3284	1.3556	1.0863	2.1092	2.0903
C2	1.3284		2.3456	2.1560	1.0853	1.0846
F3	1.3556	2.3456		2.0301	2.6199	3.3234
H4	1.0863	2.1560	2.0301		3.1116	2.5080
H5	2.1092	1.0853	2.6199	3.1116		1.8677
H6	2.0903	1.0846	3.3234	2.5080	1.8677

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.484	C1	C2	H6	119.713
C2	C1	F3	121.826	C2	C1	H4	126.171
F3	C1	H4	112.004	H5	C2	H6	118.803

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

using model chemistry: CCSD/6-31G*

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

using model chemistry: CCSD/6-31G*

States and conformations

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