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	hartrees
Energy at 0K	-336.271079
Energy at 298.15K
HF Energy	-336.271079
Nuclear repulsion energy	130.761581

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3154	3026	65.84
2	A₁	1119	1073	98.88
3	A₁	657	630	17.88
4	E	1441	1382	79.88
4	E	1441	1382	79.88
5	E	1197	1149	179.39
5	E	1197	1149	179.38
6	E	475	456	5.47
6	E	475	456	5.47

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.347
H2	0.000	0.000	1.435
F3	0.000	1.280	-0.130
F4	1.108	-0.640	-0.130
F5	-1.108	-0.640	-0.130

	C1	H2	F3	F4	F5
C1		1.0880	1.3659	1.3659	1.3659
H2	1.0880		2.0221	2.0221	2.0221
F3	1.3659	2.0221		2.2165	2.2165
F4	1.3659	2.0221	2.2165		2.2165
F5	1.3659	2.0221	2.2165	2.2165

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.467	H2	C1	F4	110.467
H2	C1	F5	110.467	F3	C1	F4	108.457
F3	C1	F5	108.457	F4	C1	F5	108.457

All results from a given calculation for CHF₃ (Methane, trifluoro-)

using model chemistry: B3PW91/3-21G*

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	0.646
2	H	0.217
3	F	-0.288
4	F	-0.288
5	F	-0.288

	x	y	z	Total
	0.000	0.000	1.685	1.685
CHELPG
AIM
ESP

<r²>	60.280
(<r²>)^1/2	7.764

All results from a given calculation for CHF3 (Methane, trifluoro-)

using model chemistry: B3PW91/3-21G*

States and conformations

All results from a given calculation for CHF₃ (Methane, trifluoro-)