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	hartrees
Energy at 0K	-337.823905
Energy at 298.15K
HF Energy	-336.900685
Nuclear repulsion energy	134.275938

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3181	3034	26.01
2	A₁	1174	1119	98.33
3	A₁	716	683	13.87
4	E	1432	1365	52.30
4	E	1432	1365	52.30
5	E	1207	1151	282.98
5	E	1207	1151	282.98
6	E	518	494	2.81
6	E	518	494	2.81

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.337
H2	0.000	0.000	1.424
F3	0.000	1.245	-0.128
F4	1.078	-0.622	-0.128
F5	-1.078	-0.622	-0.128

	C1	H2	F3	F4	F5
C1		1.0873	1.3285	1.3285	1.3285
H2	1.0873		1.9892	1.9892	1.9892
F3	1.3285	1.9892		2.1559	2.1559
F4	1.3285	1.9892	2.1559		2.1559
F5	1.3285	1.9892	2.1559	2.1559

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.458	H2	C1	F4	110.458
H2	C1	F5	110.458	F3	C1	F4	108.467
F3	C1	F5	108.467	F4	C1	F5	108.467

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

using model chemistry: QCISD/6-311+G(3df,2p)

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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HF vs MP2 Bad vib. Calc. vs exp. 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All results from a given calculation for CHF3 (Methane, trifluoro-)

using model chemistry: QCISD/6-311+G(3df,2p)

States and conformations

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