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	hartrees
Energy at 0K	-238.984282
Energy at 298.15K	-238.987033
HF Energy	-238.984282
Nuclear repulsion energy	75.495595

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	2976	2976	40.31	131.61	0.07	0.13
2	A₁	1445	1445	0.06	3.61	0.73	0.84
3	A₁	1029	1029	88.70	7.65	0.14	0.24
4	A₁	485	485	3.62	1.46	0.60	0.75
5	A₂	1200	1200	0.00	4.72	0.75	0.86
6	B₁	3059	3059	29.57	50.01	0.75	0.86
7	B₁	1117	1117	12.12	0.73	0.75	0.86
8	B₂	1367	1367	6.63	0.98	0.75	0.86
9	B₂	972	972	261.50	2.42	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.517
H2	-0.930	0.000	1.113
H3	0.930	0.000	1.113
F4	0.000	1.128	-0.296
F5	0.000	-1.128	-0.296

	C1	H2	H3	F4	F5
C1		1.1046	1.1046	1.3910	1.3910
H2	1.1046		1.8602	2.0309	2.0309
H3	1.1046	1.8602		2.0309	2.0309
F4	1.3910	2.0309	2.0309		2.2566
F5	1.3910	2.0309	2.0309	2.2566

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	114.713	H2	C1	F4	108.390
H2	C1	F5	108.390	H3	C1	F4	108.390
H3	C1	F5	108.390	F4	C1	F5	108.413

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

using model chemistry: BLYP/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	1.892
2	H	-0.398
3	H	-0.398
4	F	-0.548
5	F	-0.548

	x	y	z	Total
	0.000	0.000	1.978	1.978
CHELPG
AIM
ESP

<r²>	40.923
(<r²>)^1/2	6.397

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

using model chemistry: BLYP/daug-cc-pVDZ

States and conformations

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