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	hartrees
Energy at 0K	-337.426986
Energy at 298.15K
HF Energy	-336.771157
Nuclear repulsion energy	132.944897

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	3248	3035	50.16	58.41	0.21	0.35
2	A₁	1172	1095	106.62	4.03	0.00	0.01
3	A₁	703	657	14.62	1.60	0.41	0.58
4	E	1468	1372	85.72	3.68	0.75	0.86
4	E	1468	1372	85.72	3.68	0.75	0.86
5	E	1221	1141	241.09	3.08	0.75	0.86
5	E	1221	1141	241.09	3.08	0.75	0.86
6	E	506	473	3.41	1.15	0.75	0.86
6	E	506	473	3.41	1.15	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.340
H2	0.000	0.000	1.426
F3	0.000	1.258	-0.128
F4	1.089	-0.629	-0.128
F5	-1.089	-0.629	-0.128

	C1	H2	F3	F4	F5
C1		1.0853	1.3425	1.3425	1.3425
H2	1.0853		1.9994	1.9994	1.9994
F3	1.3425	1.9994		2.1789	2.1789
F4	1.3425	1.9994	2.1789		2.1789
F5	1.3425	1.9994	2.1789	2.1789

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.440	H2	C1	F4	110.440
H2	C1	F5	110.440	F3	C1	F4	108.485
F3	C1	F5	108.485	F4	C1	F5	108.485

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

using model chemistry: MP2=FULL/6-31G**

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=FULL/6-31G**

States and conformations

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