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	hartrees
Energy at 0K	-275.468264
Energy at 298.15K	-275.470579
HF Energy	-275.468264
Nuclear repulsion energy	109.848164

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3285	3114	0.00
2	A_g	1810	1716	0.00
3	A_g	1353	1282	0.00
4	A_g	1162	1101	0.00
5	A_g	555	526	0.00
6	A_u	992	940	86.43
7	A_u	343	325	7.97
8	B_g	906	859	0.00
9	B_u	3282	3110	7.49
10	B_u	1341	1271	8.47
11	B_u	1205	1142	180.02
12	B_u	313	296	12.67

Atom	x (Å)	y (Å)
C1	-0.326	0.575
C2	0.326	-0.575
F3	0.326	1.774
F4	-0.326	-1.774
H5	-1.405	0.632
H6	1.405	-0.632

	C1	C2	F3	F4	H5	H6
C1		1.3218	1.3645	2.3484	1.0803	2.1101
C2	1.3218		2.3484	1.3645	2.1101	1.0803
F3	1.3645	2.3484		3.6065	2.0732	2.6364
F4	2.3484	1.3645	3.6065		2.6364	2.0732
H5	1.0803	2.1101	2.0732	2.6364		3.0808
H6	2.1101	1.0803	2.6364	2.0732	3.0808

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.900	C1	C2	H6	122.593
C2	C1	F3	121.900	C2	C1	H5	122.593
F3	C1	H5	115.508	F4	C2	H6	115.508

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

using model chemistry: wB97X-D/3-21G*

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	0.036
2	C	0.036
3	F	-0.284
4	F	-0.284
5	H	0.248
6	H	0.248

	x	y	z
x	2.929	-0.482	0.000
y	-0.482	4.157	0.000
z	0.000	0.000	1.012

<r²>	82.015
(<r²>)^1/2	9.056

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

using model chemistry: wB97X-D/3-21G*

States and conformations

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