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	hartrees
Energy at 0K	-177.534991
Energy at 298.15K
HF Energy	-176.962287
Nuclear repulsion energy	67.580694

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3330	3330
2	A'	3258	3258
3	A'	3220	3220
4	A'	1713	1713
5	A'	1428	1428
6	A'	1348	1348
7	A'	1188	1188
8	A'	947	947
9	A'	485	485
10	A"	975	975
11	A"	870	870
12	A"	739	739

Atom	x (Å)	y (Å)
C1	0.000	0.433
C2	1.187	-0.153
F3	-1.145	-0.268
H4	-0.173	1.498
H5	1.282	-1.227
H6	2.070	0.464

	C1	C2	F3	H4	H5	H6
C1		1.3241	1.3423	1.0796	2.0974	2.0703
C2	1.3241		2.3351	2.1397	1.0779	1.0769
F3	1.3423	2.3351		2.0161	2.6100	3.2972
H4	1.0796	2.1397	2.0161		3.0896	2.4702
H5	2.0974	1.0779	2.6100	3.0896		1.8650
H6	2.0703	1.0769	3.2972	2.4702	1.8650

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.323	C1	C2	H6	118.791
C2	C1	F3	122.272	C2	C1	H4	125.478
F3	C1	H4	112.250	H5	C2	H6	119.886

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

using model chemistry: ROMP2/Def2TZVPP

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	0.190
2	C	-0.177
3	F	-0.269
4	H	0.089
5	H	0.086
6	H	0.081

<r²>	42.988
(<r²>)^1/2	6.557

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

using model chemistry: ROMP2/Def2TZVPP

States and conformations

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