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	hartrees
Energy at 0K	-239.075624
Energy at 298.15K
HF Energy	-239.075624
Nuclear repulsion energy	76.934809

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	3041	3041	46.21	118.83	0.09	0.16
2	A₁	1539	1539	0.76	4.49	0.69	0.82
3	A₁	1109	1109	99.44	3.78	0.27	0.42
4	A₁	519	519	4.21	1.64	0.68	0.81
5	A₂	1267	1267	0.00	7.09	0.75	0.86
6	B₁	3114	3114	46.47	46.49	0.75	0.86
7	B₁	1182	1182	17.79	1.72	0.75	0.86
8	B₂	1458	1458	15.99	2.26	0.75	0.86
9	B₂	1080	1080	242.54	2.56	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.505
H2	-0.913	0.000	1.103
H3	0.913	0.000	1.103
F4	0.000	1.106	-0.291
F5	0.000	-1.106	-0.291

	C1	H2	H3	F4	F5
C1		1.0917	1.0917	1.3630	1.3630
H2	1.0917		1.8267	2.0004	2.0004
H3	1.0917	1.8267		2.0004	2.0004
F4	1.3630	2.0004	2.0004		2.2125
F5	1.3630	2.0004	2.0004	2.2125

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	113.571	H2	C1	F4	108.662
H2	C1	F5	108.662	H3	C1	F4	108.662
H3	C1	F5	108.662	F4	C1	F5	108.512

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

using model chemistry: TPSSh/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	0.334
2	H	0.033
3	H	0.033
4	F	-0.200
5	F	-0.200

	x	y	z	Total
	0.000	0.000	1.845	1.845
CHELPG
AIM
ESP

<r²>	39.395
(<r²>)^1/2	6.277

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

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

States and conformations

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