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	hartrees
Energy at 0K	-238.911462
Energy at 298.15K	-238.914306
HF Energy	-238.911462
Nuclear repulsion energy	77.261364

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	3062	3062	52.14	105.78	0.11	0.20
2	A₁	1565	1565	3.40	8.58	0.74	0.85
3	A₁	1154	1154	104.67	4.28	0.25	0.40
4	A₁	529	529	4.66	1.66	0.73	0.85
5	A₂	1288	1288	0.00	13.72	0.75	0.86
6	B₁	3132	3132	70.28	49.27	0.75	0.86
7	B₁	1204	1204	20.80	2.27	0.75	0.86
8	B₂	1505	1505	41.65	5.14	0.75	0.86
9	B₂	1157	1157	213.99	3.20	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.497
H2	-0.909	0.000	1.108
H3	0.909	0.000	1.108
F4	0.000	1.103	-0.289
F5	0.000	-1.103	-0.289

	C1	H2	H3	F4	F5
C1		1.0951	1.0951	1.3542	1.3542
H2	1.0951		1.8182	1.9983	1.9983
H3	1.0951	1.8182		1.9983	1.9983
F4	1.3542	1.9983	1.9983		2.2053
F5	1.3542	1.9983	1.9983	2.2053

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	112.220	H2	C1	F4	108.887
H2	C1	F5	108.887	H3	C1	F4	108.887
H3	C1	F5	108.887	F4	C1	F5	109.024

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	0.377
2	H	0.108
3	H	0.108
4	F	-0.297
5	F	-0.297

	x	y	z	Total
	0.000	0.000	1.776	1.776
CHELPG
AIM
ESP

<r²>	38.973
(<r²>)^1/2	6.243

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-)