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	hartrees
Energy at 0K	-176.887574
Energy at 298.15K
HF Energy	-176.887574
Nuclear repulsion energy	68.225731

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3438	2938	7.68
2	A'	3402	2907	9.07
3	A'	3341	2855	0.41
4	A'	1892	1617	113.53
5	A'	1549	1324	6.89
6	A'	1450	1239	1.73
7	A'	1284	1097	114.64
8	A'	1030	880	46.59
9	A'	523	447	5.46
10	A"	1091	933	17.27
11	A"	1025	876	72.81
12	A"	800	684	0.07

Atom	x (Å)	y (Å)
C1	0.000	0.429
C2	1.174	-0.149
F3	-1.133	-0.266
H4	-0.176	1.487
H5	1.270	-1.219
H6	2.062	0.453

	C1	C2	F3	H4	H5	H6
C1		1.3081	1.3292	1.0730	2.0799	2.0619
C2	1.3081		2.3097	2.1209	1.0739	1.0728
F3	1.3292	2.3097		1.9977	2.5849	3.2748
H4	1.0730	2.1209	1.9977		3.0678	2.4651
H5	2.0799	1.0739	2.5849	3.0678		1.8495
H6	2.0619	1.0728	3.2748	2.4651	1.8495

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.351	C1	C2	H6	119.671
C2	C1	F3	122.276	C2	C1	H4	125.633
F3	C1	H4	112.091	H5	C2	H6	118.978

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

using model chemistry: ROHF/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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Number	Element	Mulliken
1	C	0.298
2	C	-0.361
3	F	-0.369
4	H	0.137
5	H	0.153
6	H	0.142

	x	y	z	Total
	1.209	0.937	0.000	1.530
CHELPG
AIM
ESP

<r²>	42.164
(<r²>)^1/2	6.493

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

using model chemistry: ROHF/6-31G**

States and conformations

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