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	hartrees
Energy at 0K	-276.759258
Energy at 298.15K	-276.761642
HF Energy	-276.759258
Nuclear repulsion energy	113.802454

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3280	3117	11.62
2	A₁	1821	1731	47.73
3	A₁	1308	1243	36.10
4	A₁	1060	1008	56.45
5	A₁	226	214	2.10
6	A₂	862	819	0.00
7	A₂	506	481	0.00
8	B₁	800	761	34.76
9	B₂	3255	3094	0.56
10	B₂	1433	1362	39.87
11	B₂	1184	1125	107.36
12	B₂	781	742	26.99

Atom	y (Å)	z (Å)
C1	0.663	0.574
C2	-0.663	0.574
F3	1.383	-0.548
F4	-1.383	-0.548
H5	1.247	1.488
H6	-1.247	1.488

	C1	C2	F3	F4	H5	H6
C1		1.3253	1.3339	2.3337	1.0842	2.1166
C2	1.3253		2.3337	1.3339	2.1166	1.0842
F3	1.3339	2.3337		2.7668	2.0405	3.3260
F4	2.3337	1.3339	2.7668		3.3260	2.0405
H5	1.0842	2.1166	2.0405	3.3260		2.4933
H6	2.1166	1.0842	3.3260	2.0405	2.4933

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	122.705	C1	C2	H6	122.595
C2	C1	F3	122.705	C2	C1	H5	122.595
F3	C1	H5	114.700	F4	C2	H6	114.700

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

using model chemistry: PBE1PBE/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	0.083
2	C	0.083
3	F	-0.261
4	F	-0.261
5	H	0.179
6	H	0.179

	x	y	z	Total
	0.000	0.000	2.168	2.168
CHELPG
AIM
ESP

<r²>	69.624
(<r²>)^1/2	8.344

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

using model chemistry: PBE1PBE/6-31G*

States and conformations

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