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	hartrees
Energy at 0K	-177.362619
Energy at 298.15K
HF Energy	-176.895887
Nuclear repulsion energy	67.143483

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3361	3167	2.86
2	A'	3308	3117	6.18
3	A'	3256	3068	0.39
4	A'	1758	1656	86.61
5	A'	1458	1374	7.58
6	A'	1361	1283	0.39
7	A'	1188	1120	94.55
8	A'	955	900	45.17
9	A'	485	457	4.75
10	A"	961	906	48.63
11	A"	878	827	44.48
12	A"	723	681	2.48

Atom	x (Å)	y (Å)
C1	0.000	0.444
C2	1.192	-0.140
F3	-1.148	-0.288
H4	-0.200	1.505
H5	1.296	-1.214
H6	2.080	0.474

	C1	C2	F3	H4	H5	H6
C1		1.3273	1.3610	1.0800	2.1040	2.0798
C2	1.3273		2.3446	2.1549	1.0794	1.0789
F3	1.3610	2.3446		2.0277	2.6129	3.3160
H4	1.0800	2.1549	2.0277		3.1033	2.5020
H5	2.1040	1.0794	2.6129	3.1033		1.8614
H6	2.0798	1.0789	3.3160	2.5020	1.8614

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.562	C1	C2	H6	119.256
C2	C1	F3	121.415	C2	C1	H4	126.758
F3	C1	H4	111.827	H5	C2	H6	119.182

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

using model chemistry: CCD/6-31+G**

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: CCD/6-31+G**

States and conformations

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