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	hartrees
Energy at 0K	-276.983045
Energy at 298.15K	-276.985373
HF Energy	-276.983045
Nuclear repulsion energy	112.778325

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3174	3129	15.85
2	A₁	1713	1689	51.28
3	A₁	1258	1240	34.55
4	A₁	985	971	66.93
5	A₁	229	225	2.20
6	A₂	809	797	0.00
7	A₂	493	486	0.00
8	B₁	754	743	42.38
9	B₂	3150	3105	0.53
10	B₂	1359	1340	26.44
11	B₂	1106	1090	126.97
12	B₂	757	746	31.62

Atom	y (Å)	z (Å)
C1	0.666	0.578
C2	-0.666	0.578
F3	1.402	-0.551
F4	-1.402	-0.551
H5	1.248	1.496
H6	-1.248	1.496

	C1	C2	F3	F4	H5	H6
C1		1.3330	1.3475	2.3565	1.0864	2.1229
C2	1.3330		2.3565	1.3475	2.1229	1.0864
F3	1.3475	2.3565		2.8038	2.0528	3.3482
F4	2.3565	1.3475	2.8038		3.3482	2.0528
H5	1.0864	2.1229	2.0528	3.3482		2.4953
H6	2.1229	1.0864	3.3482	2.0528	2.4953

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.145	C1	C2	H6	122.359
C2	C1	F3	123.145	C2	C1	H5	122.359
F3	C1	H5	114.496	F4	C2	H6	114.496

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

using model chemistry: B97D3/6-311G**

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	0.081
2	C	0.081
3	F	-0.194
4	F	-0.194
5	H	0.113
6	H	0.113

	x	y	z	Total
	0.000	0.000	2.227	2.227
CHELPG
AIM
ESP

<r²>	71.044
(<r²>)^1/2	8.429

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

using model chemistry: B97D3/6-311G**

States and conformations

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