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	hartrees
Energy at 0K	-238.834535
Energy at 298.15K	-238.837380
HF Energy	-238.834535
Nuclear repulsion energy	77.318057

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	3065	2943	49.06	108.54	0.10	0.19
2	A₁	1529	1468	1.29	6.08	0.74	0.85
3	A₁	1138	1093	111.75	3.55	0.30	0.46
4	A₁	534	513	5.10	1.87	0.72	0.84
5	A₂	1280	1229	0.00	10.71	0.75	0.86
6	B₁	3138	3013	53.21	47.15	0.75	0.86
7	B₁	1188	1141	21.60	1.83	0.75	0.86
8	B₂	1479	1420	30.62	4.33	0.75	0.86
9	B₂	1125	1081	243.24	2.89	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.499
H2	-0.912	0.000	1.102
H3	0.912	0.000	1.102
F4	0.000	1.101	-0.289
F5	0.000	-1.101	-0.289

	C1	H2	H3	F4	F5
C1		1.0934	1.0934	1.3541	1.3541
H2	1.0934		1.8241	1.9950	1.9950
H3	1.0934	1.8241		1.9950	1.9950
F4	1.3541	1.9950	1.9950		2.2020
F5	1.3541	1.9950	1.9950	2.2020

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	113.048	H2	C1	F4	108.730
H2	C1	F5	108.730	H3	C1	F4	108.730
H3	C1	F5	108.730	F4	C1	F5	108.794

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

using model chemistry: HSEh1PBE/6-311G**

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	0.273
2	H	0.099
3	H	0.099
4	F	-0.236
5	F	-0.236

	x	y	z	Total
	0.000	0.000	1.906	1.906
CHELPG
AIM
ESP

<r²>	39.075
(<r²>)^1/2	6.251

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

using model chemistry: HSEh1PBE/6-311G**

States and conformations

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