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	hartrees
Energy at 0K	-237.618600
Energy at 298.15K	-237.621415
HF Energy	-237.618600
Nuclear repulsion energy	75.614942

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	3090	2929	42.42	96.00	0.12	0.21
2	A₁	1608	1524	2.01	13.46	0.74	0.85
3	A₁	1100	1043	76.82	5.12	0.21	0.35
4	A₁	501	474	6.89	2.21	0.74	0.85
5	A₂	1291	1224	0.00	18.59	0.75	0.86
6	B₁	3147	2983	74.88	50.68	0.75	0.86
7	B₁	1176	1115	15.13	3.54	0.75	0.86
8	B₂	1522	1443	31.17	6.86	0.75	0.86
9	B₂	1147	1087	143.09	3.72	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.506
H2	-0.901	0.000	1.123
H3	0.901	0.000	1.123
F4	0.000	1.134	-0.294
F5	0.000	-1.134	-0.294

	C1	H2	H3	F4	F5
C1		1.0915	1.0915	1.3874	1.3874
H2	1.0915		1.8013	2.0255	2.0255
H3	1.0915	1.8013		2.0255	2.0255
F4	1.3874	2.0255	2.0255		2.2672
F5	1.3874	2.0255	2.0255	2.2672

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	111.209	H2	C1	F4	109.007
H2	C1	F5	109.007	H3	C1	F4	109.007
H3	C1	F5	109.007	F4	C1	F5	109.584

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

using model chemistry: wB97X-D/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	0.207
2	H	0.206
3	H	0.206
4	F	-0.310
5	F	-0.310

	x	y	z	Total
	0.000	0.000	2.077	2.077
CHELPG
AIM
ESP

<r²>	40.414
(<r²>)^1/2	6.357

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

using model chemistry: wB97X-D/3-21G*

States and conformations

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