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	hartrees
Energy at 0K	-239.106473
Energy at 298.15K	-239.109295
HF Energy	-239.106473
Nuclear repulsion energy	76.992824

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	3049	2955	41.16	121.10	0.06	0.12
2	A₁	1530	1482	0.17	3.21	0.72	0.84
3	A₁	1103	1069	99.67	6.35	0.15	0.26
4	A₁	524	507	4.55	1.15	0.61	0.76
5	A₂	1269	1230	0.00	4.24	0.75	0.86
6	B₁	3119	3022	30.58	43.16	0.75	0.86
7	B₁	1180	1144	15.62	0.56	0.75	0.86
8	B₂	1452	1407	10.60	0.66	0.75	0.86
9	B₂	1062	1029	260.82	2.49	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.505
H2	-0.911	0.000	1.102
H3	0.911	0.000	1.102
F4	0.000	1.105	-0.291
F5	0.000	-1.105	-0.291

	C1	H2	H3	F4	F5
C1		1.0894	1.0894	1.3623	1.3623
H2	1.0894		1.8224	1.9984	1.9984
H3	1.0894	1.8224		1.9984	1.9984
F4	1.3623	1.9984	1.9984		2.2108
F5	1.3623	1.9984	1.9984	2.2108

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	113.519	H2	C1	F4	108.684
H2	C1	F5	108.684	H3	C1	F4	108.684
H3	C1	F5	108.684	F4	C1	F5	108.477

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

using model chemistry: B3LYP/aug-cc-pVQZ

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	0.447
2	H	0.277
3	H	0.277
4	F	-0.501
5	F	-0.501

	x	y	z	Total
	0.000	0.000	1.967	1.967
CHELPG
AIM
ESP

<r²>	39.592
(<r²>)^1/2	6.292

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

using model chemistry: B3LYP/aug-cc-pVQZ

States and conformations

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