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	hartrees
Energy at 0K	-238.803197
Energy at 298.15K	-238.806036
HF Energy	-238.636371
Nuclear repulsion energy	76.936530

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	3079	2951	49.99	115.91	0.10	0.19
2	A₁	1530	1467	3.42	7.77	0.73	0.84
3	A₁	1127	1080	105.99	3.91	0.28	0.44
4	A₁	530	508	4.82	1.87	0.72	0.84
5	A₂	1274	1221	0.00	10.99	0.75	0.86
6	B₁	3155	3024	61.47	53.31	0.75	0.86
7	B₁	1183	1134	23.12	2.00	0.75	0.86
8	B₂	1476	1415	36.15	3.77	0.75	0.86
9	B₂	1127	1080	226.70	3.28	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.501
H2	-0.916	0.000	1.112
H3	0.916	0.000	1.112
F4	0.000	1.106	-0.291
F5	0.000	-1.106	-0.291

	C1	H2	H3	F4	F5
C1		1.1006	1.1006	1.3603	1.3603
H2	1.1006		1.8311	2.0073	2.0073
H3	1.1006	1.8311		2.0073	2.0073
F4	1.3603	2.0073	2.0073		2.2123
F5	1.3603	2.0073	2.0073	2.2123

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	112.576	H2	C1	F4	108.849
H2	C1	F5	108.849	H3	C1	F4	108.849
H3	C1	F5	108.849	F4	C1	F5	108.805

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

using model chemistry: B2PLYP=FULL/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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All results from a given calculation for CH2F2 (Methane, difluoro-)

using model chemistry: B2PLYP=FULL/cc-pVDZ

States and conformations

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