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	hartrees
Energy at 0K	-237.609331
Energy at 298.15K	-237.612146
HF Energy	-237.609331
Nuclear repulsion energy	75.795683

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	3088	2954	43.55	94.33	0.12	0.21
2	A₁	1605	1535	2.26	13.38	0.75	0.85
3	A₁	1108	1060	74.80	5.12	0.21	0.34
4	A₁	497	475	6.99	2.22	0.74	0.85
5	A₂	1282	1226	0.00	18.64	0.75	0.86
6	B₁	3143	3007	75.61	48.96	0.75	0.86
7	B₁	1172	1121	15.31	3.61	0.75	0.86
8	B₂	1515	1449	34.22	6.90	0.75	0.86
9	B₂	1157	1107	138.74	3.79	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.506
H2	-0.899	0.000	1.123
H3	0.899	0.000	1.123
F4	0.000	1.130	-0.294
F5	0.000	-1.130	-0.294

	C1	H2	H3	F4	F5
C1		1.0901	1.0901	1.3843	1.3843
H2	1.0901		1.7975	2.0228	2.0228
H3	1.0901	1.7975		2.0228	2.0228
F4	1.3843	2.0228	2.0228		2.2593
F5	1.3843	2.0228	2.0228	2.2593

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	111.063	H2	C1	F4	109.092
H2	C1	F5	109.092	H3	C1	F4	109.092
H3	C1	F5	109.092	F4	C1	F5	109.389

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

using model chemistry: B1B95/3-21G

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	0.208
2	H	0.203
3	H	0.203
4	F	-0.306
5	F	-0.306

	x	y	z	Total
	0.000	0.000	2.033	2.033
CHELPG
AIM
ESP

<r²>	40.246
(<r²>)^1/2	6.344

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

using model chemistry: B1B95/3-21G

States and conformations

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