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	hartrees
Energy at 0K	-238.908593
Energy at 298.15K	-238.911431
HF Energy	-238.727552
Nuclear repulsion energy	76.998588

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	3098	2957	44.89	110.67	0.10	0.18
2	A₁	1556	1485	1.52	5.26	0.75	0.86
3	A₁	1116	1065	110.08	4.78	0.23	0.37
4	A₁	530	506	5.30	2.04	0.67	0.80
5	A₂	1291	1232	0.00	10.54	0.75	0.86
6	B₁	3177	3032	38.91	42.79	0.75	0.86
7	B₁	1203	1148	20.48	2.02	0.75	0.86
8	B₂	1495	1427	28.37	5.19	0.75	0.86
9	B₂	1087	1037	262.55	2.93	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.505
H2	-0.911	0.000	1.100
H3	0.911	0.000	1.100
F4	0.000	1.106	-0.290
F5	0.000	-1.106	-0.290

	C1	H2	H3	F4	F5
C1		1.0883	1.0883	1.3621	1.3621
H2	1.0883		1.8215	1.9968	1.9968
H3	1.0883	1.8215		1.9968	1.9968
F4	1.3621	1.9968	1.9968		2.2121
F5	1.3621	1.9968	1.9968	2.2121

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	113.611	H2	C1	F4	108.635
H2	C1	F5	108.635	H3	C1	F4	108.635
H3	C1	F5	108.635	F4	C1	F5	108.585

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

using model chemistry: B2PLYP/TZVP

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	0.259
2	H	0.094
3	H	0.094
4	F	-0.223
5	F	-0.223

	x	y	z	Total
	0.000	0.000	2.089	2.089
CHELPG
AIM
ESP

<r²>	39.594
(<r²>)^1/2	6.292

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

using model chemistry: B2PLYP/TZVP

States and conformations

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