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	hartrees
Energy at 0K	-177.327314
Energy at 298.15K
HF Energy	-176.886415
Nuclear repulsion energy	67.256993

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3391	3391
2	A'	3308	3308
3	A'	3276	3276
4	A'	1751	1751
5	A'	1463	1463
6	A'	1367	1367
7	A'	1200	1200
8	A'	959	959
9	A'	481	481
10	A"	986	986
11	A"	859	859
12	A"	740	740

Atom	x (Å)	y (Å)
C1	0.000	0.437
C2	1.193	-0.146
F3	-1.150	-0.278
H4	-0.181	1.502
H5	1.290	-1.219
H6	2.079	0.468

	C1	C2	F3	H4	H5	H6
C1		1.3278	1.3539	1.0806	2.0997	2.0791
C2	1.3278		2.3466	2.1456	1.0781	1.0772
F3	1.3539	2.3466		2.0269	2.6154	3.3135
H4	1.0806	2.1456	2.0269		3.0939	2.4854
H5	2.0997	1.0781	2.6154	3.0939		1.8620
H6	2.0791	1.0772	3.3135	2.4854	1.8620

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.203	C1	C2	H6	119.280
C2	C1	F3	122.093	C2	C1	H4	125.663
F3	C1	H4	112.244	H5	C2	H6	119.517

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

using model chemistry: ROMP2/6-31G**

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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Number	Element	Mulliken
1	C	0.292
2	C	-0.355
3	F	-0.381
4	H	0.143
5	H	0.156
6	H	0.145

<r²>	43.079
(<r²>)^1/2	6.563

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

using model chemistry: ROMP2/6-31G**

States and conformations

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