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	hartrees
Energy at 0K	-277.061207
Energy at 298.15K	-277.063595
Nuclear repulsion energy	113.081971

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3236	3139	8.97
2	A₁	1782	1729	48.43
3	A₁	1276	1238	33.39
4	A₁	1023	992	65.86
5	A₁	228	221	2.33
6	A₂	863	837	0.00
7	A₂	511	496	0.00
8	B₁	786	762	32.04
9	B₂	3212	3116	1.16
10	B₂	1389	1347	37.03
11	B₂	1142	1108	117.38
12	B₂	769	746	29.48

Atom	y (Å)	z (Å)
C1	0.665	0.576
C2	-0.665	0.576
F3	1.396	-0.551
F4	-1.396	-0.551
H5	1.248	1.498
H6	-1.248	1.498

	C1	C2	F3	F4	H5	H6
C1		1.3301	1.3427	2.3485	1.0913	2.1241
C2	1.3301		2.3485	1.3427	2.1241	1.0913
F3	1.3427	2.3485		2.7912	2.0542	3.3449
F4	2.3485	1.3427	2.7912		3.3449	2.0542
H5	1.0913	2.1241	2.0542	3.3449		2.4967
H6	2.1241	1.0913	3.3449	2.0542	2.4967

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	122.962	C1	C2	H6	122.310
C2	C1	F3	122.962	C2	C1	H5	122.310
F3	C1	H5	114.728	F4	C2	H6	114.728

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

using model chemistry: B3LYP/cc-pVDZ

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	0.143
2	C	0.143
3	F	-0.164
4	F	-0.164
5	H	0.020
6	H	0.020

	x	y	z	Total
	0.000	0.000	2.152	2.152
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: B3LYP/cc-pVDZ

States and conformations

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