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	hartrees
Energy at 0K	-277.053528
Energy at 298.15K	-277.055944
Nuclear repulsion energy	113.903656

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3236	3112	7.67
2	A₁	1778	1709	56.34
3	A₁	1288	1238	37.99
4	A₁	1032	992	60.13
5	A₁	234	225	2.04
6	A₂	870	837	0.00
7	A₂	520	500	0.00
8	B₁	781	751	43.84
9	B₂	3212	3089	3.29
10	B₂	1398	1344	34.22
11	B₂	1156	1112	126.27
12	B₂	781	751	29.55

Atom	y (Å)	z (Å)
C1	0.661	0.572
C2	-0.661	0.572
F3	1.385	-0.547
F4	-1.385	-0.547
H5	1.239	1.486
H6	-1.239	1.486

	C1	C2	F3	F4	H5	H6
C1		1.3212	1.3333	2.3320	1.0812	2.1077
C2	1.3212		2.3320	1.3333	2.1077	1.0812
F3	1.3333	2.3320		2.7709	2.0379	3.3194
F4	2.3320	1.3333	2.7709		3.3194	2.0379
H5	1.0812	2.1077	2.0379	3.3194		2.4776
H6	2.1077	1.0812	3.3194	2.0379	2.4776

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	122.933	C1	C2	H6	122.331
C2	C1	F3	122.933	C2	C1	H5	122.331
F3	C1	H5	114.735	F4	C2	H6	114.735

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

using model chemistry: B3PW91/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	0.056
2	C	0.056
3	F	-0.159
4	F	-0.159
5	H	0.103
6	H	0.103

	x	y	z	Total
	0.000	0.000	2.210	2.210
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: B3PW91/cc-pVTZ

States and conformations

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