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	hartrees
Energy at 0K	-238.901232
Energy at 298.15K	-238.904009
HF Energy	-238.901232
Nuclear repulsion energy	76.026921

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	2994	2994	48.45	131.09	0.07	0.13
2	A₁	1464	1464	0.20	3.52	0.72	0.83
3	A₁	1054	1054	93.52	7.04	0.14	0.24
4	A₁	497	497	3.55	1.37	0.60	0.75
5	A₂	1219	1219	0.00	4.69	0.75	0.86
6	B₁	3076	3076	38.68	49.23	0.75	0.86
7	B₁	1135	1135	12.79	0.66	0.75	0.86
8	B₂	1390	1390	8.80	0.97	0.75	0.86
9	B₂	1007	1007	268.72	2.24	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.511
H2	-0.926	0.000	1.110
H3	0.926	0.000	1.110
F4	0.000	1.121	-0.294
F5	0.000	-1.121	-0.294

	C1	H2	H3	F4	F5
C1		1.1026	1.1026	1.3795	1.3795
H2	1.1026		1.8515	2.0205	2.0205
H3	1.1026	1.8515		2.0205	2.0205
F4	1.3795	2.0205	2.0205		2.2414
F5	1.3795	2.0205	2.0205	2.2414

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	114.198	H2	C1	F4	108.466
H2	C1	F5	108.466	H3	C1	F4	108.466
H3	C1	F5	108.466	F4	C1	F5	108.660

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

using model chemistry: B97D3/daug-cc-pVDZ

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	1.680
2	H	-0.253
3	H	-0.253
4	F	-0.587
5	F	-0.587

	x	y	z	Total
	0.000	0.000	1.915	1.915
CHELPG
AIM
ESP

<r²>	40.341
(<r²>)^1/2	6.351

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

using model chemistry: B97D3/daug-cc-pVDZ

States and conformations

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