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	hartrees
Energy at 0K	-275.484504
Energy at 298.15K	-275.486851
Nuclear repulsion energy	110.513937

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3156	3139	17.17
2	A₁	1706	1696	26.72
3	A₁	1306	1299	7.82
4	A₁	968	963	39.68
5	A₁	224	222	1.93
6	A₂	885	880	0.00
7	A₂	494	492	0.00
8	B₁	795	791	37.90
9	B₂	3127	3110	0.28
10	B₂	1416	1408	8.63
11	B₂	1104	1098	75.17
12	B₂	735	731	17.32

Atom	y (Å)	z (Å)
C1	0.668	0.582
C2	-0.668	0.582
F3	1.452	-0.557
F4	-1.452	-0.557
H5	1.218	1.523
H6	-1.218	1.523

	C1	C2	F3	F4	H5	H6
C1		1.3360	1.3830	2.4067	1.0897	2.1076
C2	1.3360		2.4067	1.3830	2.1076	1.0897
F3	1.3830	2.4067		2.9037	2.0933	3.3845
F4	2.4067	1.3830	2.9037		3.3845	2.0933
H5	1.0897	2.1076	2.0933	3.3845		2.4359
H6	2.1076	1.0897	3.3845	2.0933	2.4359

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	124.524	C1	C2	H6	120.308
C2	C1	F3	124.524	C2	C1	H5	120.308
F3	C1	H5	115.168	F4	C2	H6	115.168

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

using model chemistry: BLYP/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	0.039
2	C	0.039
3	F	-0.228
4	F	-0.228
5	H	0.189
6	H	0.189

	x	y	z	Total
	0.000	0.000	2.022	2.022
CHELPG
AIM
ESP

<r²>	73.793
(<r²>)^1/2	8.590

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

using model chemistry: BLYP/3-21G

States and conformations

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