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	hartrees
Energy at 0K	-238.984758
Energy at 298.15K	-238.987604
HF Energy	-238.984758
Nuclear repulsion energy	77.284331

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	3065	2932	48.76	106.37	0.10	0.18
2	A₁	1538	1471	1.44	6.11	0.75	0.86
3	A₁	1135	1086	115.09	3.60	0.29	0.45
4	A₁	534	511	5.25	1.85	0.72	0.83
5	A₂	1286	1231	0.00	10.65	0.75	0.86
6	B₁	3140	3003	52.89	45.71	0.75	0.86
7	B₁	1193	1141	22.88	1.80	0.75	0.86
8	B₂	1488	1423	31.19	4.29	0.75	0.86
9	B₂	1119	1070	248.65	2.90	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.500
H2	-0.912	0.000	1.102
H3	0.912	0.000	1.102
F4	0.000	1.101	-0.289
F5	0.000	-1.101	-0.289

	C1	H2	H3	F4	F5
C1		1.0927	1.0927	1.3550	1.3550
H2	1.0927		1.8239	1.9950	1.9950
H3	1.0927	1.8239		1.9950	1.9950
F4	1.3550	1.9950	1.9950		2.2030
F5	1.3550	1.9950	1.9950	2.2030

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	113.152	H2	C1	F4	108.713
H2	C1	F5	108.713	H3	C1	F4	108.713
H3	C1	F5	108.713	F4	C1	F5	108.757

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

using model chemistry: wB97X-D/6-311G**

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	0.289
2	H	0.095
3	H	0.095
4	F	-0.240
5	F	-0.240

	x	y	z	Total
	0.000	0.000	1.958	1.958
CHELPG
AIM
ESP

<r²>	39.085
(<r²>)^1/2	6.252

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

using model chemistry: wB97X-D/6-311G**

States and conformations

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