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	hartrees
Energy at 0K	-237.996084
Energy at 298.15K
HF Energy	-237.996084
Nuclear repulsion energy	78.601586

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	3227	2937	54.22	108.69	0.09	0.16
2	A₁	1679	1528	2.26	3.71	0.73	0.84
3	A₁	1234	1123	136.75	3.63	0.26	0.42
4	A₁	585	532	6.69	1.10	0.67	0.80
5	A₂	1400	1274	0.00	5.81	0.75	0.86
6	B₁	3295	2999	54.15	39.60	0.75	0.86
7	B₁	1298	1182	28.81	1.03	0.75	0.86
8	B₂	1607	1463	29.38	1.30	0.75	0.86
9	B₂	1235	1124	271.15	3.17	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.494
H2	-0.898	0.000	1.093
H3	0.898	0.000	1.093
F4	0.000	1.080	-0.286
F5	0.000	-1.080	-0.286

	C1	H2	H3	F4	F5
C1		1.0793	1.0793	1.3322	1.3322
H2	1.0793		1.7958	1.9682	1.9682
H3	1.0793	1.7958		1.9682	1.9682
F4	1.3322	1.9682	1.9682		2.1600
F5	1.3322	1.9682	1.9682	2.1600

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	112.596	H2	C1	F4	108.958
H2	C1	F5	108.958	H3	C1	F4	108.958
H3	C1	F5	108.958	F4	C1	F5	108.324

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

using model chemistry: HF/cc-pV(T+d)Z

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	0.427
2	H	0.039
3	H	0.039
4	F	-0.253
5	F	-0.253

	x	y	z	Total
	0.000	0.000	2.051	2.051
CHELPG
AIM
ESP	0.014	0.000	2.095	2.095

<r²>	38.110
(<r²>)^1/2	6.173

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

using model chemistry: HF/cc-pV(T+d)Z

States and conformations

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