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	hartrees
Energy at 0K	-277.058678
Energy at 298.15K	-277.061165
Nuclear repulsion energy	117.260838

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3224	3096	4.42
2	A₁	1800	1729	262.32
3	A₁	1432	1375	3.42
4	A₁	948	910	66.34
5	A₁	543	521	4.07
6	A₂	725	696	0.00
7	B₁	810	778	77.67
8	B₁	625	600	2.59
9	B₂	3319	3187	0.08
10	B₂	1353	1299	216.80
11	B₂	972	933	15.59
12	B₂	438	421	1.05

Atom	y (Å)	z (Å)
C1	0.000	1.386
C2	0.000	0.064
H3	0.937	1.926
H4	-0.937	1.926
F5	1.086	-0.697
F6	-1.086	-0.697

	C1	C2	H3	H4	F5	F6
C1		1.3227	1.0814	1.0814	2.3497	2.3497
C2	1.3227		2.0846	2.0846	1.3261	1.3261
H3	1.0814	2.0846		1.8746	2.6273	3.3127
H4	1.0814	2.0846	1.8746		3.3127	2.6273
F5	2.3497	1.3261	2.6273	3.3127		2.1719
F6	2.3497	1.3261	3.3127	2.6273	2.1719

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	125.025	C1	C2	F6	125.025
C2	C1	H3	119.919	C2	C1	H4	119.919
H3	C1	H4	120.163	F5	C2	F6	109.950

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

using model chemistry: B3LYP/6-31G*

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	CHELPG	ESP
1	C	-0.446	-0.627	-0.678
2	C	0.584	0.490	0.482
3	H	0.171	0.221	0.241
4	H	0.171	0.221	0.241
5	F	-0.240	-0.152	-0.144
6	F	-0.240	-0.152	-0.144

	x	y	z	Total
	0.000	0.000	1.037	1.037
CHELPG	0.000	0.000	1.081	1.081
AIM
ESP	0.000	0.000	1.061	1.061

<r²>	63.905
(<r²>)^1/2	7.994

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

using model chemistry: B3LYP/6-31G*

States and conformations

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