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	hartrees
Energy at 0K	-337.940284
Energy at 298.15K
HF Energy	-336.935216
Nuclear repulsion energy	133.855710

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	3203	3042	22.35	65.91	0.16	0.27
2	A₁	1158	1100	94.48	6.56	0.02	0.03
3	A₁	707	671	12.85	2.04	0.19	0.31
4	E	1416	1344	41.97	1.57	0.75	0.86
4	E	1416	1344	41.97	1.57	0.75	0.86
5	E	1177	1118	298.72	1.90	0.75	0.86
5	E	1177	1118	298.72	1.90	0.75	0.86
6	E	512	486	2.32	0.72	0.75	0.86
6	E	512	486	2.32	0.72	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.338
H2	0.000	0.000	1.423
F3	0.000	1.249	-0.128
F4	1.082	-0.624	-0.128
F5	-1.082	-0.624	-0.128

	C1	H2	F3	F4	F5
C1		1.0845	1.3331	1.3331	1.3331
H2	1.0845		1.9911	1.9911	1.9911
F3	1.3331	1.9911		2.1632	2.1632
F4	1.3331	1.9911	2.1632		2.1632
F5	1.3331	1.9911	2.1632	2.1632

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.468	H2	C1	F4	110.468
H2	C1	F5	110.468	F3	C1	F4	108.456
F3	C1	F5	108.456	F4	C1	F5	108.457

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

using model chemistry: MP2/aug-cc-pVQZ

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

using model chemistry: MP2/aug-cc-pVQZ

States and conformations

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