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	hartrees
Energy at 0K	-238.900311
Energy at 298.15K	-238.903084
HF Energy	-238.900311
Nuclear repulsion energy	75.993203

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	2997	2997	48.05	126.82	0.07	0.13
2	A₁	1459	1459	0.16	3.52	0.71	0.83
3	A₁	1053	1053	93.95	6.45	0.16	0.28
4	A₁	495	495	3.60	1.45	0.63	0.77
5	A₂	1216	1216	0.00	4.63	0.75	0.86
6	B₁	3079	3079	38.01	48.52	0.75	0.86
7	B₁	1133	1133	13.07	0.74	0.75	0.86
8	B₂	1389	1389	8.47	0.89	0.75	0.86
9	B₂	1005	1005	266.87	2.73	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.512
H2	-0.926	0.000	1.111
H3	0.926	0.000	1.111
F4	0.000	1.121	-0.294
F5	0.000	-1.121	-0.294

	C1	H2	H3	F4	F5
C1		1.1031	1.1031	1.3803	1.3803
H2	1.1031		1.8525	2.0218	2.0218
H3	1.1031	1.8525		2.0218	2.0218
F4	1.3803	2.0218	2.0218		2.2414
F5	1.3803	2.0218	2.0218	2.2414

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	114.209	H2	C1	F4	108.485
H2	C1	F5	108.485	H3	C1	F4	108.485
H3	C1	F5	108.485	F4	C1	F5	108.566

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

using model chemistry: B97D3/aug-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	1.254
2	H	-0.259
3	H	-0.259
4	F	-0.368
5	F	-0.368

	x	y	z	Total
	0.000	0.000	1.932	1.932
CHELPG
AIM
ESP

<r²>	40.367
(<r²>)^1/2	6.354

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

using model chemistry: B97D3/aug-cc-pVDZ

States and conformations

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