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	hartrees
Energy at 0K	-174.669562
Energy at 298.15K
HF Energy	-174.529530
Nuclear repulsion energy	66.148080

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3639	3639
2	A'	3485	3485
3	A'	3461	3461
4	A'	1824	1824
5	A'	1593	1593
6	A'	1422	1422
7	A'	1279	1279
8	A'	1034	1034
9	A'	481	481
10	A"	1080	1080
11	A"	921	921
12	A"	727	727

Atom	x (Å)	y (Å)
C1	0.000	0.434
C2	1.214	-0.163
F3	-1.179	-0.261
H4	-0.115	1.537
H5	1.313	-1.255
H6	2.127	0.441

	C1	C2	F3	H4	H5	H6
C1		1.3523	1.3679	1.1090	2.1389	2.1272
C2	1.3523		2.3941	2.1573	1.0965	1.0950
F3	1.3679	2.3941		2.0885	2.6825	3.3793
H4	1.1090	2.1573	2.0885		3.1356	2.4957
H5	2.1389	1.0965	2.6825	3.1356		1.8809
H6	2.1272	1.0950	3.3793	2.4957	1.8809

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.376	C1	C2	H6	120.370
C2	C1	F3	123.313	C2	C1	H4	122.127
F3	C1	H4	114.560	H5	C2	H6	118.255

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

using model chemistry: ROMP2/STO-3G

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	0.078
2	C	-0.154
3	F	-0.129
4	H	0.067
5	H	0.070
6	H	0.069

<r²>	43.520
(<r²>)^1/2	6.597

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

using model chemistry: ROMP2/STO-3G

States and conformations

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