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	hartrees
Energy at 0K	-55.167647
Energy at 298.15K	-55.170420
HF Energy	-55.167647
Nuclear repulsion energy	43.755092

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	3088	3088	41.44	111.65	0.10	0.18
2	A₁	1521	1521	0.27	8.03	0.74	0.85
3	A₁	1048	1048	92.94	7.64	0.17	0.29
4	A₁	475	475	8.18	2.99	0.70	0.82
5	A₂	1239	1239	0.00	14.30	0.75	0.86
6	B₁	3196	3196	35.63	43.59	0.75	0.86
7	B₁	1145	1145	16.05	3.49	0.75	0.86
8	B₂	1454	1454	21.72	6.30	0.75	0.86
9	B₂	1042	1042	230.94	5.46	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.531
H2	-0.921	0.000	1.116
H3	0.921	0.000	1.116
F4	0.000	1.142	-0.301
F5	0.000	-1.142	-0.301

	C1	H2	H3	F4	F5
C1		1.0912	1.0912	1.4130	1.4130
H2	1.0912		1.8424	2.0396	2.0396
H3	1.0912	1.8424		2.0396	2.0396
F4	1.4130	2.0396	2.0396		2.2844
F5	1.4130	2.0396	2.0396	2.2844

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	115.176	H2	C1	F4	108.393
H2	C1	F5	108.393	H3	C1	F4	108.393
H3	C1	F5	108.393	F4	C1	F5	107.874

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

using model chemistry: wB97X-D/CEP-121G

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	0.119
2	H	0.172
3	H	0.172
4	F	-0.231
5	F	-0.231

	x	y	z	Total
	0.000	0.000	2.684	2.684
CHELPG
AIM
ESP

<r²>	35.315
(<r²>)^1/2	5.943

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

using model chemistry: wB97X-D/CEP-121G

States and conformations

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