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	hartrees
Energy at 0K	-238.909311
Energy at 298.15K	-238.912153
HF Energy	-238.909311
Nuclear repulsion energy	77.439342

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	3089	2933	50.44	101.39	0.11	0.21
2	A₁	1575	1496	4.11	8.92	0.74	0.85
3	A₁	1163	1104	102.20	4.34	0.23	0.38
4	A₁	528	501	4.73	1.66	0.74	0.85
5	A₂	1288	1223	0.00	14.16	0.75	0.86
6	B₁	3156	2996	69.93	47.74	0.75	0.86
7	B₁	1204	1143	20.60	2.44	0.75	0.86
8	B₂	1509	1432	49.92	5.60	0.75	0.86
9	B₂	1171	1112	208.25	3.34	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.496
H2	-0.907	0.000	1.106
H3	0.907	0.000	1.106
F4	0.000	1.100	-0.288
F5	0.000	-1.100	-0.288

	C1	H2	H3	F4	F5
C1		1.0930	1.0930	1.3510	1.3510
H2	1.0930		1.8140	1.9941	1.9941
H3	1.0930	1.8140		1.9941	1.9941
F4	1.3510	1.9941	1.9941		2.2003
F5	1.3510	1.9941	1.9941	2.2003

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	112.155	H2	C1	F4	108.898
H2	C1	F5	108.898	H3	C1	F4	108.898
H3	C1	F5	108.898	F4	C1	F5	109.049

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

using model chemistry: B1B95/6-31G*

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	0.286
2	H	0.144
3	H	0.144
4	F	-0.287
5	F	-0.287

	x	y	z	Total
	0.000	0.000	1.737	1.737
CHELPG
AIM
ESP

<r²>	38.830
(<r²>)^1/2	6.231

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

using model chemistry: B1B95/6-31G*

States and conformations

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