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	hartrees
Energy at 0K	-177.529174
Energy at 298.15K
HF Energy	-176.953686
Nuclear repulsion energy	67.612062

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3328	3328
2	A'	3253	3253
3	A'	3218	3218
4	A'	1715	1715
5	A'	1428	1428
6	A'	1346	1346
7	A'	1192	1192
8	A'	948	948
9	A'	484	484
10	A"	979	979
11	A"	879	879
12	A"	742	742

Atom	x (Å)	y (Å)
C1	0.000	0.432
C2	1.187	-0.155
F3	-1.145	-0.266
H4	-0.169	1.499
H5	1.279	-1.229
H6	2.070	0.461

	C1	C2	F3	H4	H5	H6
C1		1.3241	1.3408	1.0799	2.0967	2.0701
C2	1.3241		2.3340	2.1387	1.0781	1.0769
F3	1.3408	2.3340		2.0164	2.6080	3.2957
H4	1.0799	2.1387	2.0164		3.0886	2.4679
H5	2.0967	1.0781	2.6080	3.0886		1.8662
H6	2.0701	1.0769	3.2957	2.4679	1.8662

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.241	C1	C2	H6	118.766
C2	C1	F3	122.282	C2	C1	H4	125.350
F3	C1	H4	112.368	H5	C2	H6	119.994

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

using model chemistry: ROMP2/cc-pVTZ

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	0.154
2	C	-0.366
3	F	-0.243
4	H	0.142
5	H	0.160
6	H	0.153

<r²>	42.916
(<r²>)^1/2	6.551

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

using model chemistry: ROMP2/cc-pVTZ

States and conformations

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