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	hartrees
Energy at 0K	-276.799718
Energy at 298.15K	-276.802082
HF Energy	-276.605406
Nuclear repulsion energy	113.356115

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3295	3127	11.24
2	A₁	1798	1706	42.48
3	A₁	1308	1241	29.71
4	A₁	1043	990	60.82
5	A₁	227	215	2.32
6	A₂	845	802	0.00
7	A₂	496	471	0.00
8	B₁	799	758	31.96
9	B₂	3271	3105	0.63
10	B₂	1435	1362	31.50
11	B₂	1163	1104	103.77
12	B₂	773	734	28.22

Atom	y (Å)	z (Å)
C1	0.664	0.582
C2	-0.664	0.582
F3	1.384	-0.553
F4	-1.384	-0.553
H5	1.252	1.489
H6	-1.252	1.489

	C1	C2	F3	F4	H5	H6
C1		1.3274	1.3443	2.3410	1.0815	2.1201
C2	1.3274		2.3410	1.3443	2.1201	1.0815
F3	1.3443	2.3410		2.7673	2.0467	3.3348
F4	2.3410	1.3443	2.7673		3.3348	2.0467
H5	1.0815	2.1201	2.0467	3.3348		2.5050
H6	2.1201	1.0815	3.3348	2.0467	2.5050

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	122.381	C1	C2	H6	122.984
C2	C1	F3	122.381	C2	C1	H5	122.984
F3	C1	H5	114.635	F4	C2	H6	114.635

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

using model chemistry: B2PLYP/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	0.130
2	C	0.130
3	F	-0.307
4	F	-0.307
5	H	0.176
6	H	0.176

<r²>	69.993
(<r²>)^1/2	8.366

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

using model chemistry: B2PLYP/6-31G*

States and conformations

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