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	hartrees
Energy at 0K	-338.118693
Energy at 298.15K
HF Energy	-337.855531
Nuclear repulsion energy	133.351709

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	3181	3181	45.21	64.13	0.21	0.34
2	A₁	1147	1147	115.53	3.37	0.00	0.01
3	A₁	700	700	14.98	1.94	0.44	0.61
4	E	1423	1423	67.72	3.60	0.75	0.86
4	E	1423	1423	67.73	3.60	0.75	0.86
5	E	1173	1173	291.78	2.55	0.75	0.86
5	E	1173	1173	291.80	2.55	0.75	0.86
6	E	509	509	2.71	1.36	0.75	0.86
6	E	509	509	2.71	1.36	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.338
H2	0.000	0.000	1.426
F3	0.000	1.254	-0.128
F4	1.086	-0.627	-0.128
F5	-1.086	-0.627	-0.128

	C1	H2	F3	F4	F5
C1		1.0874	1.3379	1.3379	1.3379
H2	1.0874		1.9965	1.9965	1.9965
F3	1.3379	1.9965		2.1721	2.1721
F4	1.3379	1.9965	2.1721		2.1721
F5	1.3379	1.9965	2.1721	2.1721

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.390	H2	C1	F4	110.390
H2	C1	F5	110.390	F3	C1	F4	108.537
F3	C1	F5	108.537	F4	C1	F5	108.537

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

using model chemistry: B2PLYP=FULL/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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All results from a given calculation for CHF3 (Methane, trifluoro-)

using model chemistry: B2PLYP=FULL/6-311G**

States and conformations

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