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	hartrees
Energy at 0K	-275.820501
Energy at 298.15K	-275.822854
Nuclear repulsion energy	114.409597

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3146	3111	4.92
2	A₁	1751	1732	61.17
3	A₁	1247	1234	45.52
4	A₁	1030	1019	44.36
5	A₁	221	218	1.73
6	A₂	825	816	0.00
7	A₂	512	507	0.00
8	B₁	741	733	48.18
9	B₂	3124	3090	5.83
10	B₂	1350	1335	42.49
11	B₂	1155	1142	104.78
12	B₂	771	762	24.51

Atom	y (Å)	z (Å)
C1	0.661	0.572
C2	-0.661	0.572
F3	1.370	-0.547
F4	-1.370	-0.547
H5	1.245	1.494
H6	-1.245	1.494

	C1	C2	F3	F4	H5	H6
C1		1.3218	1.3245	2.3188	1.0913	2.1169
C2	1.3218		2.3188	1.3245	2.1169	1.0913
F3	1.3245	2.3188		2.7404	2.0447	3.3169
F4	2.3188	1.3245	2.7404		3.3169	2.0447
H5	1.0913	2.1169	2.0447	3.3169		2.4891
H6	2.1169	1.0913	3.3169	2.0447	2.4891

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	122.376	C1	C2	H6	122.330
C2	C1	F3	122.376	C2	C1	H5	122.330
F3	C1	H5	115.294	F4	C2	H6	115.294

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

using model chemistry: LSDA/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	0.014
2	C	0.014
3	F	-0.116
4	F	-0.116
5	H	0.103
6	H	0.103

	x	y	z	Total
	0.000	0.000	2.057	2.057
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: LSDA/cc-pVTZ

States and conformations

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