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	hartrees
Energy at 0K	-277.040860
Energy at 298.15K	-277.043220
Nuclear repulsion energy	113.323463

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3254	3125	13.63
2	A₁	1792	1721	44.49
3	A₁	1300	1248	30.95
4	A₁	1039	997	60.68
5	A₁	227	218	2.23
6	A₂	848	814	0.00
7	A₂	496	476	0.00
8	B₁	792	761	31.45
9	B₂	3230	3102	0.27
10	B₂	1423	1367	33.26
11	B₂	1157	1111	107.25
12	B₂	771	741	27.90

Atom	y (Å)	z (Å)
C1	0.664	0.579
C2	-0.664	0.579
F3	1.388	-0.551
F4	-1.388	-0.551
H5	1.251	1.490
H6	-1.251	1.490

	C1	C2	F3	F4	H5	H6
C1		1.3272	1.3427	2.3427	1.0841	2.1202
C2	1.3272		2.3427	1.3427	2.1202	1.0841
F3	1.3427	2.3427		2.7769	2.0462	3.3367
F4	2.3427	1.3427	2.7769		3.3367	2.0462
H5	1.0841	2.1202	2.0462	3.3367		2.5015
H6	2.1202	1.0841	3.3367	2.0462	2.5015

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	122.671	C1	C2	H6	122.794
C2	C1	F3	122.671	C2	C1	H5	122.794
F3	C1	H5	114.535	F4	C2	H6	114.535

All results from a given calculation for C₂H₂F₂ (Ethene, 1,2-difluoro-, (Z)-)

using model chemistry: B3LYP/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	0.110
2	C	0.110
3	F	-0.261
4	F	-0.261
5	H	0.151
6	H	0.151

	x	y	z	Total
	0.000	0.000	2.174	2.174
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C2H2F2 (Ethene, 1,2-difluoro-, (Z)-)

using model chemistry: B3LYP/6-31G*

States and conformations

All results from a given calculation for C₂H₂F₂ (Ethene, 1,2-difluoro-, (Z)-)