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	hartrees
Energy at 0K	-238.989489
Energy at 298.15K	-238.992316
HF Energy	-238.989489
Nuclear repulsion energy	76.812666

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	3029	2938	50.16	119.51	0.11	0.19
2	A₁	1504	1458	2.79	8.14	0.72	0.84
3	A₁	1117	1083	104.93	3.68	0.31	0.48
4	A₁	525	509	4.34	1.87	0.73	0.84
5	A₂	1254	1216	0.00	11.51	0.75	0.86
6	B₁	3098	3005	63.67	56.09	0.75	0.86
7	B₁	1166	1131	21.57	2.10	0.75	0.86
8	B₂	1455	1411	34.12	4.00	0.75	0.86
9	B₂	1108	1075	226.24	3.10	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.501
H2	-0.918	0.000	1.115
H3	0.918	0.000	1.115
F4	0.000	1.108	-0.291
F5	0.000	-1.108	-0.291

	C1	H2	H3	F4	F5
C1		1.1038	1.1038	1.3621	1.3621
H2	1.1038		1.8352	2.0115	2.0115
H3	1.1038	1.8352		2.0115	2.0115
F4	1.3621	2.0115	2.0115		2.2159
F5	1.3621	2.0115	2.0115	2.2159

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	112.469	H2	C1	F4	108.864
H2	C1	F5	108.864	H3	C1	F4	108.864
H3	C1	F5	108.864	F4	C1	F5	108.854

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

using model chemistry: B3LYPultrafine/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	0.384
2	H	0.020
3	H	0.020
4	F	-0.212
5	F	-0.212

	x	y	z	Total
	0.000	0.000	1.783	1.783
CHELPG
AIM
ESP

<r²>	39.387
(<r²>)^1/2	6.276

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

using model chemistry: B3LYPultrafine/cc-pVDZ

States and conformations

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