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	hartrees
Energy at 0K	-177.348393
Energy at 298.15K
HF Energy	-176.894360
Nuclear repulsion energy	67.040999

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3345	3345
2	A'	3263	3263
3	A'	3225	3225
4	A'	1727	1727
5	A'	1417	1417
6	A'	1336	1336
7	A'	1187	1187
8	A'	947	947
9	A'	478	478
10	A"	978	978
11	A"	860	860
12	A"	740	740

Atom	x (Å)	y (Å)
C1	0.000	0.434
C2	1.197	-0.164
F3	-1.155	-0.259
H4	-0.160	1.516
H5	1.281	-1.253
H6	2.096	0.454

	C1	C2	F3	H4	H5	H6
C1		1.3376	1.3471	1.0943	2.1178	2.0959
C2	1.3376		2.3538	2.1596	1.0922	1.0911
F3	1.3471	2.3538		2.0353	2.6309	3.3283
H4	1.0943	2.1596	2.0353		3.1216	2.4935
H5	2.1178	1.0922	2.6309	3.1216		1.8915
H6	2.0959	1.0911	3.3283	2.4935	1.8915

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	120.962	C1	C2	H6	118.960
C2	C1	F3	122.503	C2	C1	H4	124.955
F3	C1	H4	112.543	H5	C2	H6	120.079

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

using model chemistry: ROMP2/cc-pVDZ

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	0.221
2	C	-0.132
3	F	-0.284
4	H	0.055
5	H	0.073
6	H	0.068

<r²>	43.461
(<r²>)^1/2	6.592

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

using model chemistry: ROMP2/cc-pVDZ

States and conformations

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