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	hartrees
Energy at 0K	-274.659482
Energy at 298.15K	-274.662016
HF Energy	-274.244767
Nuclear repulsion energy	115.239105

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3260	3111	6.28
2	A₁	1781	1700	188.68
3	A₁	1507	1439	0.69
4	A₁	924	882	47.02
5	A₁	526	502	6.38
6	A₂	751	717	0.00
7	B₁	892	852	115.05
8	B₁	635	606	6.31
9	B₂	3361	3208	0.21
10	B₂	1373	1311	160.84
11	B₂	1003	957	7.58
12	B₂	435	415	1.99

Atom	y (Å)	z (Å)
C1	0.000	1.399
C2	0.000	0.074
H3	0.934	1.938
H4	-0.934	1.938
F5	1.115	-0.706
F6	-1.115	-0.706

	C1	C2	H3	H4	F5	F6
C1		1.3250	1.0786	1.0786	2.3826	2.3826
C2	1.3250		2.0849	2.0849	1.3610	1.3610
H3	1.0786	2.0849		1.8689	2.6506	3.3455
H4	1.0786	2.0849	1.8689		3.3455	2.6506
F5	2.3826	1.3610	2.6506	3.3455		2.2296
F6	2.3826	1.3610	3.3455	2.6506	2.2296

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	125.004	C1	C2	F6	125.004
C2	C1	H3	119.967	C2	C1	H4	119.967
H3	C1	H4	120.065	F5	C2	F6	109.992

All results from a given calculation for CH₂CF₂ (Ethene, 1,1-difluoro-)

using model chemistry: MP2/3-21G

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	ESP
1	C	-0.499	-0.779
2	C	0.638	0.655
3	H	0.228	0.272
4	H	0.228	0.272
5	F	-0.297	-0.210
6	F	-0.297	-0.210

<r²>	66.054
(<r²>)^1/2	8.127

All results from a given calculation for CH2CF2 (Ethene, 1,1-difluoro-)

using model chemistry: MP2/3-21G

States and conformations

All results from a given calculation for CH₂CF₂ (Ethene, 1,1-difluoro-)