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	hartrees
Energy at 0K	-239.016897
Energy at 298.15K	-239.019741
HF Energy	-239.016897
Nuclear repulsion energy	77.387440

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	3064	2931	42.57	119.89	0.06	0.12
2	A₁	1539	1473	0.12	3.20	0.72	0.84
3	A₁	1133	1084	103.31	6.02	0.15	0.27
4	A₁	535	512	4.80	1.10	0.61	0.76
5	A₂	1281	1226	0.00	4.25	0.75	0.86
6	B₁	3135	2999	31.41	41.96	0.75	0.86
7	B₁	1190	1139	16.13	0.53	0.75	0.86
8	B₂	1464	1400	12.55	0.60	0.75	0.86
9	B₂	1105	1057	262.96	2.49	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.501
H2	-0.911	0.000	1.102
H3	0.911	0.000	1.102
F4	0.000	1.099	-0.290
F5	0.000	-1.099	-0.290

	C1	H2	H3	F4	F5
C1		1.0909	1.0909	1.3538	1.3538
H2	1.0909		1.8215	1.9931	1.9931
H3	1.0909	1.8215		1.9931	1.9931
F4	1.3538	1.9931	1.9931		2.1977
F5	1.3538	1.9931	1.9931	2.1977

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	113.208	H2	C1	F4	108.755
H2	C1	F5	108.755	H3	C1	F4	108.755
H3	C1	F5	108.755	F4	C1	F5	108.517

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

using model chemistry: wB97X-D/aug-cc-pVTZ

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	0.205
2	H	0.242
3	H	0.242
4	F	-0.344
5	F	-0.344

	x	y	z	Total
	0.000	0.000	1.927	1.927
CHELPG
AIM
ESP

<r²>	39.160
(<r²>)^1/2	6.258

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

using model chemistry: wB97X-D/aug-cc-pVTZ

States and conformations

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