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	hartrees
Energy at 0K	-277.080925
Energy at 298.15K	-277.083342
Nuclear repulsion energy	114.170338

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3249	3110	8.07
2	A₁	1791	1714	57.18
3	A₁	1288	1232	39.10
4	A₁	1039	994	60.17
5	A₁	231	221	2.10
6	A₂	874	837	0.00
7	A₂	521	499	0.00
8	B₁	784	750	42.02
9	B₂	3225	3087	3.23
10	B₂	1400	1340	37.30
11	B₂	1162	1112	123.38
12	B₂	781	747	29.27

Atom	y (Å)	z (Å)
C1	0.659	0.572
C2	-0.659	0.572
F3	1.380	-0.546
F4	-1.380	-0.546
H5	1.237	1.483
H6	-1.237	1.483

	C1	C2	F3	F4	H5	H6
C1		1.3183	1.3309	2.3259	1.0787	2.1038
C2	1.3183		2.3259	1.3309	2.1038	1.0787
F3	1.3309	2.3259		2.7599	2.0345	3.3120
F4	2.3259	1.3309	2.7599		3.3120	2.0345
H5	1.0787	2.1038	2.0345	3.3120		2.4748
H6	2.1038	1.0787	3.3120	2.0345	2.4748

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	122.789	C1	C2	H6	122.414
C2	C1	F3	122.789	C2	C1	H5	122.414
F3	C1	H5	114.797	F4	C2	H6	114.797

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

using model chemistry: B1B95/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	0.032
2	C	0.032
3	F	-0.156
4	F	-0.156
5	H	0.124
6	H	0.124

	x	y	z	Total
	0.000	0.000	2.233	2.233
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: B1B95/cc-pVTZ

States and conformations

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