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	hartrees
Energy at 0K	-239.035385
Energy at 298.15K	-239.038229
HF Energy	-239.035385
Nuclear repulsion energy	77.444249

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3060	3060	43.67	119.74	0.06	0.12
2	A₁	1540	1540	0.13	3.06	0.72	0.84
3	A₁	1133	1133	103.32	6.15	0.15	0.26
4	A₁	536	536	4.76	1.06	0.61	0.75
5	A₂	1285	1285	0.00	4.22	0.75	0.86
6	B₁	3131	3131	32.89	41.72	0.75	0.86
7	B₁	1193	1193	16.39	0.49	0.75	0.86
8	B₂	1466	1466	12.44	0.64	0.75	0.86
9	B₂	1104	1104	261.50	2.36	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.500
H2	-0.910	0.000	1.102
H3	0.910	0.000	1.102
F4	0.000	1.098	-0.289
F5	0.000	-1.098	-0.289

	C1	H2	H3	F4	F5
C1		1.0908	1.0908	1.3525	1.3525
H2	1.0908		1.8199	1.9921	1.9921
H3	1.0908	1.8199		1.9921	1.9921
F4	1.3525	1.9921	1.9921		2.1967
F5	1.3525	1.9921	1.9921	2.1967

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	113.070	H2	C1	F4	108.770
H2	C1	F5	108.770	H3	C1	F4	108.770
H3	C1	F5	108.770	F4	C1	F5	108.604

All results from a given calculation for CH₂F₂ (Methane, difluoro-)

using model chemistry: wB97X-D/aug-cc-pVQZ

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	0.704
2	H	0.143
3	H	0.143
4	F	-0.495
5	F	-0.495

	x	y	z	Total
	0.000	0.000	1.910	1.910
CHELPG
AIM
ESP

<r²>	39.106
(<r²>)^1/2	6.253

All results from a given calculation for CH2F2 (Methane, difluoro-)

using model chemistry: wB97X-D/aug-cc-pVQZ

States and conformations

All results from a given calculation for CH₂F₂ (Methane, difluoro-)