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	hartrees
Energy at 0K	-176.881952
Energy at 298.15K
HF Energy	-176.881952
Nuclear repulsion energy	68.219114

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3456	3105	9.43
2	A'	3427	3079	9.16
3	A'	3363	3021	0.51
4	A'	1894	1701	113.21
5	A'	1561	1402	7.73
6	A'	1457	1309	1.29
7	A'	1286	1156	113.35
8	A'	1033	928	47.80
9	A'	524	471	5.40
10	A"	1094	983	18.21
11	A"	1026	922	73.71
12	A"	800	719	0.06

Atom	x (Å)	y (Å)
C1	0.000	0.428
C2	1.174	-0.149
F3	-1.134	-0.265
H4	-0.177	1.485
H5	1.273	-1.219
H6	2.063	0.451

	C1	C2	F3	H4	H5	H6
C1		1.3085	1.3291	1.0721	2.0814	2.0632
C2	1.3085		2.3109	2.1211	1.0737	1.0726
F3	1.3291	2.3109		1.9950	2.5888	3.2761
H4	1.0721	2.1211	1.9950		3.0684	2.4676
H5	2.0814	1.0737	2.5888	3.0684		1.8469
H6	2.0632	1.0726	3.2761	2.4676	1.8469

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.477	C1	C2	H6	119.773
C2	C1	F3	122.362	C2	C1	H4	125.707
F3	C1	H4	111.931	H5	C2	H6	118.750

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

using model chemistry: HF/6-31G*

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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	x	y	Total
	1.209	0.935	1.529
CHELPG	1.218	0.908	1.519
AIM	-1.853	-0.369	1.890
ESP	1.196	0.901	1.497

Number	Element	Mulliken
1	C	0.257
2	C	-0.473
3	F	-0.366
4	H	0.187
5	H	0.203
6	H	0.192

	x	y	z
x	4.295	-0.638	0.000
y	-0.638	3.121	0.000
z	0.000	0.000	1.429

<r²>	42.193
(<r²>)^1/2	6.496

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

using model chemistry: HF/6-31G*

States and conformations

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