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	hartrees
Energy at 0K	-177.394126
Energy at 298.15K
HF Energy	-176.925572
Nuclear repulsion energy	67.374202

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3325	3325
2	A'	3254	3254
3	A'	3214	3214
4	A'	1719	1719
5	A'	1439	1439
6	A'	1348	1348
7	A'	1194	1194
8	A'	956	956
9	A'	486	486
10	A"	973	973
11	A"	848	848
12	A"	740	740

Atom	x (Å)	y (Å)
C1	0.000	0.433
C2	1.191	-0.156
F3	-1.149	-0.265
H4	-0.173	1.504
H5	1.283	-1.235
H6	2.084	0.454

	C1	C2	F3	H4	H5	H6
C1		1.3289	1.3446	1.0846	2.1044	2.0841
C2	1.3289		2.3424	2.1487	1.0827	1.0816
F3	1.3446	2.3424		2.0206	2.6177	3.3119
H4	1.0846	2.1487	2.0206		3.1018	2.4894
H5	2.1044	1.0827	2.6177	3.1018		1.8694
H6	2.0841	1.0816	3.3119	2.4894	1.8694

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.192	C1	C2	H6	119.322
C2	C1	F3	122.363	C2	C1	H4	125.516
F3	C1	H4	112.121	H5	C2	H6	119.486

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

using model chemistry: ROMP2/6-311G*

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	0.134
2	C	-0.535
3	F	-0.306
4	H	0.226
5	H	0.247
6	H	0.233

<r²>	43.167
(<r²>)^1/2	6.570

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

using model chemistry: ROMP2/6-311G*

States and conformations

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