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	hartrees
Energy at 0K	-238.976110
Energy at 298.15K	-238.978938
HF Energy	-238.976110
Nuclear repulsion energy	76.905247

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	3042	2923	51.35	102.21	0.11	0.20
2	A₁	1553	1492	3.41	8.83	0.74	0.85
3	A₁	1131	1087	98.23	4.43	0.24	0.38
4	A₁	519	499	4.19	1.76	0.73	0.85
5	A₂	1272	1222	0.00	13.96	0.75	0.86
6	B₁	3107	2985	69.59	48.72	0.75	0.86
7	B₁	1192	1145	19.62	2.50	0.75	0.86
8	B₂	1493	1434	41.00	5.37	0.75	0.86
9	B₂	1129	1085	207.49	3.13	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.499
H2	-0.910	0.000	1.111
H3	0.910	0.000	1.111
F4	0.000	1.109	-0.290
F5	0.000	-1.109	-0.290

	C1	H2	H3	F4	F5
C1		1.0963	1.0963	1.3610	1.3610
H2	1.0963		1.8191	2.0052	2.0052
H3	1.0963	1.8191		2.0052	2.0052
F4	1.3610	2.0052	2.0052		2.2174
F5	1.3610	2.0052	2.0052	2.2174

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	112.122	H2	C1	F4	108.894
H2	C1	F5	108.894	H3	C1	F4	108.894
H3	C1	F5	108.894	F4	C1	F5	109.100

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

using model chemistry: B3LYP/6-31G**

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	0.391
2	H	0.091
3	H	0.091
4	F	-0.287
5	F	-0.287

	x	y	z	Total
	0.000	0.000	1.715	1.715
CHELPG
AIM
ESP

<r²>	39.290
(<r²>)^1/2	6.268

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

using model chemistry: B3LYP/6-31G**

States and conformations

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