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	hartrees
Energy at 0K	-239.096523
Energy at 298.15K	-239.099346
HF Energy	-239.096523
Nuclear repulsion energy	76.990097

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	3051	2937	43.68	115.57	0.09	0.16
2	A₁	1531	1474	0.56	3.90	0.72	0.84
3	A₁	1109	1067	102.40	4.32	0.25	0.40
4	A₁	524	504	4.49	1.57	0.68	0.81
5	A₂	1270	1223	0.00	7.08	0.75	0.86
6	B₁	3121	3005	38.73	44.31	0.75	0.86
7	B₁	1182	1138	17.59	1.50	0.75	0.86
8	B₂	1459	1404	15.49	2.06	0.75	0.86
9	B₂	1075	1035	252.24	2.60	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.505
H2	-0.911	0.000	1.103
H3	0.911	0.000	1.103
F4	0.000	1.106	-0.291
F5	0.000	-1.106	-0.291

	C1	H2	H3	F4	F5
C1		1.0903	1.0903	1.3620	1.3620
H2	1.0903		1.8229	1.9989	1.9989
H3	1.0903	1.8229		1.9989	1.9989
F4	1.3620	1.9989	1.9989		2.2114
F5	1.3620	1.9989	1.9989	2.2114

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	113.428	H2	C1	F4	108.690
H2	C1	F5	108.690	H3	C1	F4	108.690
H3	C1	F5	108.690	F4	C1	F5	108.553

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

using model chemistry: B3LYP/Def2TZVPP

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	0.222
2	H	0.108
3	H	0.108
4	F	-0.219
5	F	-0.219

	x	y	z	Total
	0.000	0.000	1.929	1.929
CHELPG
AIM
ESP

<r²>	39.519
(<r²>)^1/2	6.286

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

using model chemistry: B3LYP/Def2TZVPP

States and conformations

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