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	hartrees
Energy at 0K	-239.014856
Energy at 298.15K
HF Energy	-239.014856
Nuclear repulsion energy	77.455904

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	3057	3057	46.66	115.54	0.08	0.16
2	A₁	1544	1544	0.58	4.49	0.71	0.83
3	A₁	1140	1140	105.08	3.49	0.28	0.44
4	A₁	538	538	4.63	1.48	0.68	0.81
5	A₂	1288	1288	0.00	6.85	0.75	0.86
6	B₁	3127	3127	43.08	44.92	0.75	0.86
7	B₁	1197	1197	18.74	1.36	0.75	0.86
8	B₂	1476	1476	17.38	2.14	0.75	0.86
9	B₂	1119	1119	244.75	2.51	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.499
H2	-0.909	0.000	1.102
H3	0.909	0.000	1.102
F4	0.000	1.099	-0.289
F5	0.000	-1.099	-0.289

	C1	H2	H3	F4	F5
C1		1.0912	1.0912	1.3519	1.3519
H2	1.0912		1.8188	1.9921	1.9921
H3	1.0912	1.8188		1.9921	1.9921
F4	1.3519	1.9921	1.9921		2.1973
F5	1.3519	1.9921	1.9921	2.1973

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	112.906	H2	C1	F4	108.786
H2	C1	F5	108.786	H3	C1	F4	108.786
H3	C1	F5	108.786	F4	C1	F5	108.714

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

using model chemistry: wB97X-D/cc-pCVTZ

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	0.329
2	H	0.032
3	H	0.032
4	F	-0.197
5	F	-0.197

	x	y	z	Total
	0.000	0.000	1.853	1.853
CHELPG
AIM
ESP

<r²>	38.974
(<r²>)^1/2	6.243

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

using model chemistry: wB97X-D/cc-pCVTZ

States and conformations

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