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	hartrees
Energy at 0K	-238.960838
Energy at 298.15K
HF Energy	-238.960838
Nuclear repulsion energy	76.577481

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	2975	2975	53.56	123.50	0.09	0.16
2	A₁	1497	1497	0.74	4.88	0.68	0.81
3	A₁	1076	1076	96.14	3.70	0.29	0.45
4	A₁	513	513	3.39	1.75	0.69	0.82
5	A₂	1240	1240	0.00	7.67	0.75	0.86
6	B₁	3043	3043	56.37	50.22	0.75	0.86
7	B₁	1159	1159	16.47	1.81	0.75	0.86
8	B₂	1428	1428	15.34	2.68	0.75	0.86
9	B₂	1038	1038	244.13	2.37	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.504
H2	-0.916	0.000	1.108
H3	0.916	0.000	1.108
F4	0.000	1.114	-0.291
F5	0.000	-1.114	-0.291

	C1	H2	H3	F4	F5
C1		1.0971	1.0971	1.3682	1.3682
H2	1.0971		1.8319	2.0088	2.0088
H3	1.0971	1.8319		2.0088	2.0088
F4	1.3682	2.0088	2.0088		2.2273
F5	1.3682	2.0088	2.0088	2.2273

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	113.212	H2	C1	F4	108.645
H2	C1	F5	108.645	H3	C1	F4	108.645
H3	C1	F5	108.645	F4	C1	F5	108.975

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

using model chemistry: B97D3/cc-pV(T+d)Z

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	0.318
2	H	0.032
3	H	0.032
4	F	-0.191
5	F	-0.191

	x	y	z	Total
	0.000	0.000	1.768	1.768
CHELPG
AIM
ESP

<r²>	39.716
(<r²>)^1/2	6.302

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

using model chemistry: B97D3/cc-pV(T+d)Z

States and conformations

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