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	hartrees
Energy at 0K	-237.438488
Energy at 298.15K	-237.441302
HF Energy	-237.438488
Nuclear repulsion energy	75.699118

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	3075	2952	44.93	95.06	0.12	0.21
2	A₁	1603	1538	2.19	13.41	0.74	0.85
3	A₁	1108	1063	74.16	5.04	0.21	0.35
4	A₁	499	479	6.72	2.22	0.74	0.85
5	A₂	1281	1230	0.00	18.66	0.75	0.86
6	B₁	3129	3003	77.70	49.60	0.75	0.86
7	B₁	1172	1125	15.01	3.52	0.75	0.86
8	B₂	1513	1452	34.03	6.96	0.75	0.86
9	B₂	1159	1112	138.26	3.72	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.505
H2	-0.901	0.000	1.125
H3	0.901	0.000	1.125
F4	0.000	1.132	-0.294
F5	0.000	-1.132	-0.294

	C1	H2	H3	F4	F5
C1		1.0934	1.0934	1.3852	1.3852
H2	1.0934		1.8012	2.0262	2.0262
H3	1.0934	1.8012		2.0262	2.0262
F4	1.3852	2.0262	2.0262		2.2633
F5	1.3852	2.0262	2.0262	2.2633

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	110.900	H2	C1	F4	109.091
H2	C1	F5	109.091	H3	C1	F4	109.091
H3	C1	F5	109.091	F4	C1	F5	109.560

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

using model chemistry: PBE1PBE/3-21G*

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	0.194
2	H	0.207
3	H	0.207
4	F	-0.304
5	F	-0.304

	x	y	z	Total
	0.000	0.000	2.003	2.003
CHELPG
AIM
ESP

<r²>	40.366
(<r²>)^1/2	6.353

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

using model chemistry: PBE1PBE/3-21G*

States and conformations

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