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	hartrees
Energy at 0K	-238.953744
Energy at 298.15K	-238.956573
HF Energy	-238.953744
Nuclear repulsion energy	77.073939

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	3089	41.35	121.65	0.07	0.12
2	A₁	1503	1503	0.09	3.28	0.73	0.84
3	A₁	1124	1124	100.94	6.38	0.14	0.24
4	A₁	522	522	4.99	1.14	0.62	0.76
5	A₂	1258	1258	0.00	4.39	0.75	0.86
6	B₁	3173	3173	28.71	42.69	0.75	0.86
7	B₁	1168	1168	15.16	0.57	0.75	0.86
8	B₂	1428	1428	11.04	0.75	0.75	0.86
9	B₂	1101	1101	260.56	2.50	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.506
H2	-0.918	0.000	1.103
H3	0.918	0.000	1.103
F4	0.000	1.102	-0.291
F5	0.000	-1.102	-0.291

	C1	H2	H3	F4	F5
C1		1.0951	1.0951	1.3600	1.3600
H2	1.0951		1.8351	2.0004	2.0004
H3	1.0951	1.8351		2.0004	2.0004
F4	1.3600	2.0004	2.0004		2.2047
F5	1.3600	2.0004	2.0004	2.2047

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	113.826	H2	C1	F4	108.648
H2	C1	F5	108.648	H3	C1	F4	108.648
H3	C1	F5	108.648	F4	C1	F5	108.292

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

using model chemistry: B1B95/daug-cc-pVDZ

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	1.756
2	H	-0.259
3	H	-0.259
4	F	-0.619
5	F	-0.619

	x	y	z	Total
	0.000	0.000	1.965	1.965
CHELPG
AIM
ESP

<r²>	39.415
(<r²>)^1/2	6.278

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

using model chemistry: B1B95/daug-cc-pVDZ

States and conformations

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