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	hartrees
Energy at 0K	-277.075274
Energy at 298.15K	-277.077719
HF Energy	-277.075274
Nuclear repulsion energy	114.121882

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3254	3111	7.31
2	A₁	1801	1722	56.76
3	A₁	1299	1242	37.82
4	A₁	1041	996	64.52
5	A₁	239	229	2.17
6	A₂	896	856	0.00
7	A₂	527	504	0.00
8	B₁	796	761	44.20
9	B₂	3230	3088	3.53
10	B₂	1409	1347	36.20
11	B₂	1162	1110	132.07
12	B₂	787	753	30.70

Atom	y (Å)	z (Å)
C1	0.660	0.572
C2	-0.660	0.572
F3	1.382	-0.546
F4	-1.382	-0.546
H5	1.239	1.483
H6	-1.239	1.483

	C1	C2	F3	F4	H5	H6
C1		1.3194	1.3305	2.3272	1.0801	2.1061
C2	1.3194		2.3272	1.3305	2.1061	1.0801
F3	1.3305	2.3272		2.7632	2.0343	3.3143
F4	2.3272	1.3305	2.7632		3.3143	2.0343
H5	1.0801	2.1061	2.0343	3.3143		2.4776
H6	2.1061	1.0801	3.3143	2.0343	2.4776

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	122.860	C1	C2	H6	122.424
C2	C1	F3	122.860	C2	C1	H5	122.424
F3	C1	H5	114.716	F4	C2	H6	114.716

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

using model chemistry: wB97X-D/cc-pVTZ

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	0.058
2	C	0.058
3	F	-0.162
4	F	-0.162
5	H	0.104
6	H	0.104

	x	y	z	Total
	0.000	0.000	2.252	2.252
CHELPG
AIM
ESP

<r²>	69.645
(<r²>)^1/2	8.345

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

using model chemistry: wB97X-D/cc-pVTZ

States and conformations

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