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	hartrees
Energy at 0K	-276.871737
Energy at 298.15K	-276.874063
Nuclear repulsion energy	112.902557

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3151	3130	9.75
2	A₁	1708	1696	55.02
3	A₁	1243	1235	33.48
4	A₁	993	986	55.33
5	A₁	224	222	1.77
6	A₂	810	804	0.00
7	A₂	499	495	0.00
8	B₁	743	738	43.80
9	B₂	3128	3107	2.32
10	B₂	1347	1338	28.17
11	B₂	1115	1107	116.77
12	B₂	755	749	26.90

Atom	y (Å)	z (Å)
C1	0.666	0.577
C2	-0.666	0.577
F3	1.398	-0.551
F4	-1.398	-0.551
H5	1.248	1.498
H6	-1.248	1.498

	C1	C2	F3	F4	H5	H6
C1		1.3321	1.3456	2.3529	1.0894	2.1240
C2	1.3321		2.3529	1.3456	2.1240	1.0894
F3	1.3456	2.3529		2.7967	2.0554	3.3473
F4	2.3529	1.3456	2.7967		3.3473	2.0554
H5	1.0894	2.1240	2.0554	3.3473		2.4957
H6	2.1240	1.0894	3.3473	2.0554	2.4957

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	122.973	C1	C2	H6	122.281
C2	C1	F3	122.973	C2	C1	H5	122.281
F3	C1	H5	114.746	F4	C2	H6	114.746

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

using model chemistry: PBEPBE/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	0.044
2	C	0.044
3	F	-0.137
4	F	-0.137
5	H	0.093
6	H	0.093

	x	y	z	Total
	0.000	0.000	2.053	2.053
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: PBEPBE/cc-pVTZ

States and conformations

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