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	hartrees
Energy at 0K	-238.950198
Energy at 298.15K	-238.953025
HF Energy	-238.950198
Nuclear repulsion energy	76.895080

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	3077	3077	42.12	118.67	0.06	0.12
2	A₁	1509	1509	0.07	3.08	0.74	0.85
3	A₁	1115	1115	102.43	6.54	0.13	0.24
4	A₁	522	522	4.81	1.15	0.60	0.75
5	A₂	1262	1262	0.00	4.29	0.75	0.86
6	B₁	3162	3162	29.19	40.57	0.75	0.86
7	B₁	1171	1171	15.27	0.54	0.75	0.86
8	B₂	1434	1434	10.95	0.70	0.75	0.86
9	B₂	1087	1087	266.99	2.46	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.506
H2	-0.920	0.000	1.105
H3	0.920	0.000	1.105
F4	0.000	1.105	-0.292
F5	0.000	-1.105	-0.292

	C1	H2	H3	F4	F5
C1		1.0974	1.0974	1.3632	1.3632
H2	1.0974		1.8392	2.0046	2.0046
H3	1.0974	1.8392		2.0046	2.0046
F4	1.3632	2.0046	2.0046		2.2103
F5	1.3632	2.0046	2.0046	2.2103

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	113.856	H2	C1	F4	108.631
H2	C1	F5	108.631	H3	C1	F4	108.631
H3	C1	F5	108.631	F4	C1	F5	108.330

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

using model chemistry: wB97X-D/daug-cc-pVDZ

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	1.592
2	H	-0.179
3	H	-0.179
4	F	-0.617
5	F	-0.617

	x	y	z	Total
	0.000	0.000	1.991	1.991
CHELPG
AIM
ESP

<r²>	39.549
(<r²>)^1/2	6.289

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

using model chemistry: wB97X-D/daug-cc-pVDZ

States and conformations

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