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	hartrees
Energy at 0K	-238.853889
Energy at 298.15K	-238.856672
HF Energy	-238.853889
Nuclear repulsion energy	75.175917

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	3131	3131	31.22	106.62	0.11	0.20
2	A₁	1570	1570	0.64	9.82	0.74	0.85
3	A₁	1071	1071	86.19	6.11	0.19	0.32
4	A₁	481	481	8.71	2.72	0.73	0.84
5	A₂	1262	1262	0.00	16.24	0.75	0.86
6	B₁	3223	3223	44.44	45.45	0.75	0.86
7	B₁	1155	1155	16.27	3.87	0.75	0.86
8	B₂	1482	1482	23.08	6.11	0.75	0.86
9	B₂	1090	1090	184.09	4.35	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.518
H2	-0.912	0.000	1.111
H3	0.912	0.000	1.111
F4	0.000	1.139	-0.296
F5	0.000	-1.139	-0.296

	C1	H2	H3	F4	F5
C1		1.0882	1.0882	1.3996	1.3996
H2	1.0882		1.8237	2.0272	2.0272
H3	1.0882	1.8237		2.0272	2.0272
F4	1.3996	2.0272	2.0272		2.2776
F5	1.3996	2.0272	2.0272	2.2776

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	113.849	H2	C1	F4	108.497
H2	C1	F5	108.497	H3	C1	F4	108.497
H3	C1	F5	108.497	F4	C1	F5	108.912

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

using model chemistry: wB97X-D/6-31G

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	0.306
2	H	0.178
3	H	0.178
4	F	-0.331
5	F	-0.331

	x	y	z	Total
	0.000	0.000	2.424	2.424
CHELPG
AIM
ESP

<r²>	40.918
(<r²>)^1/2	6.397

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

using model chemistry: wB97X-D/6-31G

States and conformations

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