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	hartrees
Energy at 0K	-599.311387
Energy at 298.15K
Nuclear repulsion energy	99.058622

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.827	0.000
F2	1.375	0.797	0.000
Cl3	-0.685	-0.869	0.000
H4	-0.367	1.318	0.921
H5	-0.367	1.318	-0.921

	C1	F2	Cl3	H4	H5
C1		1.3756	1.8288	1.1068	1.1068
F2	1.3756		2.6493	2.0384	2.0384
Cl3	1.8288	2.6493		2.3947	2.3947
H4	1.1068	2.0384	2.3947		1.8430
H5	1.1068	2.0384	2.3947	1.8430

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	110.742	F2	C1	H4	109.924
F2	C1	H5	109.924	Cl3	C1	H4	106.724
Cl3	C1	H5	106.724	H4	C1	H5	112.719

Number	Element	Mulliken
1	C	0.178
2	F	-0.166
3	Cl	-0.133
4	H	0.060
5	H	0.060

All results from a given calculation for CH₂FCl (fluorochloromethane)

using model chemistry: BLYP/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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	x	y	z	Total
	-0.753	1.614	0.000	1.781
CHELPG
AIM
ESP

	x	y	z
x	3.023	0.817	0.000
y	0.817	4.232	0.000
z	0.000	0.000	2.486

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH2FCl (fluorochloromethane)

using model chemistry: BLYP/cc-pVDZ

States and conformations

All results from a given calculation for CH₂FCl (fluorochloromethane)