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	hartrees
Energy at 0K	-276.938044
Energy at 298.15K	-276.940414
Nuclear repulsion energy	113.512118

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3263	3122	13.13
2	A₁	1803	1725	46.82
3	A₁	1303	1247	34.15
4	A₁	1047	1002	57.39
5	A₁	226	216	2.09
6	A₂	852	815	0.00
7	A₂	501	479	0.00
8	B₁	793	759	34.73
9	B₂	3239	3099	0.31
10	B₂	1426	1364	36.45
11	B₂	1172	1121	108.75
12	B₂	776	742	27.27

Atom	y (Å)	z (Å)
C1	0.663	0.575
C2	-0.663	0.575
F3	1.389	-0.549
F4	-1.389	-0.549
H5	1.247	1.489
H6	-1.247	1.489

	C1	C2	F3	F4	H5	H6
C1		1.3270	1.3377	2.3403	1.0844	2.1180
C2	1.3270		2.3403	1.3377	2.1180	1.0844
F3	1.3377	2.3403		2.7790	2.0425	3.3322
F4	2.3403	1.3377	2.7790		3.3322	2.0425
H5	1.0844	2.1180	2.0425	3.3322		2.4942
H6	2.1180	1.0844	3.3322	2.0425	2.4942

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	122.869	C1	C2	H6	122.559
C2	C1	F3	122.869	C2	C1	H5	122.559
F3	C1	H5	114.572	F4	C2	H6	114.572

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

using model chemistry: B3PW91/6-31G*

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	0.085
2	C	0.085
3	F	-0.260
4	F	-0.260
5	H	0.175
6	H	0.175

	x	y	z	Total
	0.000	0.000	2.172	2.172
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: B3PW91/6-31G*

States and conformations

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