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	hartrees
Energy at 0K	-176.891364
Energy at 298.15K
HF Energy	-176.891364
Nuclear repulsion energy	68.110192

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3456	2958	7.44
2	A'	3434	2939	4.15
3	A'	3360	2876	0.32
4	A'	1868	1599	127.86
5	A'	1550	1327	9.13
6	A'	1450	1241	1.48
7	A'	1272	1089	127.08
8	A'	1024	877	59.41
9	A'	523	447	5.12
10	A"	1079	924	27.12
11	A"	1035	886	90.41
12	A"	792	678	2.84

Atom	x (Å)	y (Å)
C1	0.000	0.431
C2	1.176	-0.149
F3	-1.134	-0.268
H4	-0.186	1.486
H5	1.276	-1.218
H6	2.062	0.456

	C1	C2	F3	H4	H5	H6
C1		1.3111	1.3325	1.0716	2.0849	2.0624
C2	1.3111		2.3136	2.1278	1.0737	1.0729
F3	1.3325	2.3136		1.9947	2.5910	3.2777
H4	1.0716	2.1278	1.9947		3.0739	2.4726
H5	2.0849	1.0737	2.5910	3.0739		1.8492
H6	2.0624	1.0729	3.2777	2.4726	1.8492

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.591	C1	C2	H6	119.451
C2	C1	F3	122.122	C2	C1	H4	126.206
F3	C1	H4	111.672	H5	C2	H6	118.958

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

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

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	0.223
2	C	-0.517
3	F	-0.371
4	H	0.220
5	H	0.228
6	H	0.216

	x	y	z	Total
	1.377	0.979	0.000	1.689
CHELPG
AIM
ESP

<r²>	42.580
(<r²>)^1/2	6.525

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

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

States and conformations

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