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	hartrees
Energy at 0K	-338.247667
Energy at 298.15K
HF Energy	-338.247667
Nuclear repulsion energy	132.253387

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	3173	3054	27.50	74.55	0.22	0.36
2	A₁	1121	1079	97.91	6.03	0.02	0.04
3	A₁	672	647	12.95	1.90	0.35	0.52
4	E	1379	1327	51.25	3.40	0.75	0.86
4	E	1379	1327	51.24	3.40	0.75	0.86
5	E	1132	1089	323.60	2.40	0.75	0.86
5	E	1132	1089	323.59	2.40	0.75	0.86
6	E	483	465	2.50	1.21	0.75	0.86
6	E	483	465	2.50	1.21	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.345
H2	0.000	0.000	1.435
F3	0.000	1.264	-0.130
F4	1.094	-0.632	-0.130
F5	-1.094	-0.632	-0.130

	C1	H2	F3	F4	F5
C1		1.0898	1.3502	1.3502	1.3502
H2	1.0898		2.0115	2.0115	2.0115
F3	1.3502	2.0115		2.1890	2.1890
F4	1.3502	2.0115	2.1890		2.1890
F5	1.3502	2.0115	2.1890	2.1890

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.605	H2	C1	F4	110.605
H2	C1	F5	110.605	F3	C1	F4	108.314
F3	C1	F5	108.314	F4	C1	F5	108.314

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

using model chemistry: TPSSh/6-31+G**

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	0.696
2	H	0.154
3	F	-0.284
4	F	-0.284
5	F	-0.284

	x	y	z	Total
	0.000	0.000	1.741	1.741
CHELPG
AIM
ESP

<r²>	59.626
(<r²>)^1/2	7.722

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

using model chemistry: TPSSh/6-31+G**

States and conformations

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