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	hartrees
Energy at 0K	-275.829082
Energy at 298.15K	-275.831569
HF Energy	-275.829082
Nuclear repulsion energy	112.908881

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3392	3082	0.00
2	A_g	1920	1745	0.00
3	A_g	1424	1294	0.00
4	A_g	1262	1147	0.00
5	A_g	608	552	0.00
6	A_u	1032	937	80.93
7	A_u	380	345	5.95
8	B_g	970	881	0.00
9	B_u	3383	3074	13.84
10	B_u	1420	1290	29.45
11	B_u	1278	1161	387.22
12	B_u	351	319	14.52

Atom	x (Å)	y (Å)
C1	-0.325	0.565
C2	0.325	-0.565
F3	0.325	1.711
F4	-0.325	-1.711
H5	-1.391	0.660
H6	1.391	-0.660

	C1	C2	F3	F4	H5	H6
C1		1.3039	1.3177	2.2764	1.0700	2.1086
C2	1.3039		2.2764	1.3177	2.1086	1.0700
F3	1.3177	2.2764		3.4837	2.0121	2.6001
F4	2.2764	1.3177	3.4837		2.6001	2.0121
H5	1.0700	2.1086	2.0121	2.6001		3.0792
H6	2.1086	1.0700	2.6001	2.0121	3.0792

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.528	C1	C2	H6	125.013
C2	C1	F3	120.528	C2	C1	H5	125.013
F3	C1	H5	114.459	F4	C2	H6	114.459

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

using model chemistry: HF/6-311+G(3df,2p)

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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HF vs MP2 Bad vib. Calc. vs exp. 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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	0.315
2	C	0.315
3	F	-0.467
4	F	-0.467
5	H	0.152
6	H	0.152

	x	y	z
x	3.736	-0.557	0.000
y	-0.557	4.742	0.000
z	0.000	0.000	2.916

<r²>	78.525
(<r²>)^1/2	8.861

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

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

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