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	hartrees
Energy at 0K	-336.865330
Energy at 298.15K
HF Energy	-336.865330
Nuclear repulsion energy	135.910634

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	3391	3067	57.38	56.24	0.21	0.35
2	A₁	1257	1137	156.45	2.67	0.01	0.02
3	A₁	769	695	21.96	1.32	0.45	0.62
4	E	1573	1423	104.03	3.05	0.75	0.86
4	E	1573	1423	104.03	3.05	0.75	0.86
5	E	1312	1187	323.51	2.81	0.75	0.86
5	E	1312	1187	323.51	2.81	0.75	0.86
6	E	560	507	4.91	1.01	0.75	0.86
6	E	560	507	4.91	1.01	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.331
H2	0.000	0.000	1.406
F3	0.000	1.230	-0.126
F4	1.065	-0.615	-0.126
F5	-1.065	-0.615	-0.126

	C1	H2	F3	F4	F5
C1		1.0747	1.3122	1.3122	1.3122
H2	1.0747		1.9644	1.9644	1.9644
F3	1.3122	1.9644		2.1307	2.1307
F4	1.3122	1.9644	2.1307		2.1307
F5	1.3122	1.9644	2.1307	2.1307

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.371	H2	C1	F4	110.371
H2	C1	F5	110.371	F3	C1	F4	108.557
F3	C1	F5	108.557	F4	C1	F5	108.557

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

using model chemistry: HF/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	0.617
2	H	0.180
3	F	-0.265
4	F	-0.265
5	F	-0.265

	x	y	z	Total
	0.000	0.000	1.792	1.792
CHELPG
AIM
ESP	-0.000	0.002	1.845	1.845

<r²>	56.928
(<r²>)^1/2	7.545

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

using model chemistry: HF/6-311G*

States and conformations

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