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	hartrees
Energy at 0K	-238.933504
Energy at 298.15K	-238.936347
HF Energy	-238.933504
Nuclear repulsion energy	77.102324

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	3101	3101	36.78	130.70	0.07	0.12
2	A₁	1514	1514	0.12	8.27	0.60	0.75
3	A₁	1145	1145	103.98	5.71	0.15	0.26
4	A₁	531	531	5.74	1.03	0.60	0.75
5	A₂	1269	1269	0.00	4.52	0.75	0.86
6	B₁	3182	3182	24.71	42.09	0.75	0.86
7	B₁	1175	1175	16.79	0.59	0.75	0.86
8	B₂	1443	1443	12.80	0.62	0.75	0.86
9	B₂	1133	1133	249.83	2.71	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.508
H2	-0.919	0.000	1.105
H3	0.919	0.000	1.105
F4	0.000	1.100	-0.292
F5	0.000	-1.100	-0.292

	C1	H2	H3	F4	F5
C1		1.0954	1.0954	1.3601	1.3601
H2	1.0954		1.8371	2.0011	2.0011
H3	1.0954	1.8371		2.0011	2.0011
F4	1.3601	2.0011	2.0011		2.2005
F5	1.3601	2.0011	2.0011	2.2005

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	113.966	H2	C1	F4	108.683
H2	C1	F5	108.683	H3	C1	F4	108.683
H3	C1	F5	108.683	F4	C1	F5	107.985

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

using model chemistry: M06-2X/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	1.774
2	H	-0.277
3	H	-0.277
4	F	-0.610
5	F	-0.610

	x	y	z	Total
	0.000	0.000	2.018	2.018
CHELPG
AIM
ESP

<r²>	39.377
(<r²>)^1/2	6.275

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

using model chemistry: M06-2X/daug-cc-pVDZ

States and conformations

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