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	hartrees
Energy at 0K	-177.438194
Energy at 298.15K
HF Energy	-176.952673
Nuclear repulsion energy	67.476692

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3342	3342
2	A'	3272	3272
3	A'	3232	3232
4	A'	1718	1718
5	A'	1437	1437
6	A'	1361	1361
7	A'	1182	1182
8	A'	943	943
9	A'	488	488
10	A"	961	961
11	A"	775	775
12	A"	724	724

Atom	x (Å)	y (Å)
C1	0.000	0.437
C2	1.187	-0.146
F3	-1.144	-0.277
H4	-0.187	1.501
H5	1.286	-1.221
H6	2.072	0.470

	C1	C2	F3	H4	H5	H6
C1		1.3229	1.3483	1.0807	2.0979	2.0724
C2	1.3229		2.3351	2.1454	1.0791	1.0782
F3	1.3483	2.3351		2.0194	2.6066	3.3017
H4	1.0807	2.1454	2.0194		3.0949	2.4830
H5	2.0979	1.0791	2.6066	3.0949		1.8650
H6	2.0724	1.0782	3.3017	2.4830	1.8650

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.371	C1	C2	H6	118.978
C2	C1	F3	121.890	C2	C1	H4	126.099
F3	C1	H4	112.012	H5	C2	H6	119.651

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

using model chemistry: ROMP2/TZVP

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	0.166
2	C	-0.259
3	F	-0.259
4	H	0.106
5	H	0.130
6	H	0.117

<r²>	43.089
(<r²>)^1/2	6.564

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

using model chemistry: ROMP2/TZVP

States and conformations

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