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	hartrees
Energy at 0K	-338.115134
Energy at 298.15K
HF Energy	-337.853863
Nuclear repulsion energy	133.387874

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	3200	3200	48.26	62.23	0.22	0.36
2	A₁	1150	1150	115.48	3.30	0.01	0.01
3	A₁	702	702	14.67	1.93	0.44	0.61
4	E	1435	1435	70.28	3.94	0.75	0.86
4	E	1435	1435	70.28	3.94	0.75	0.86
5	E	1174	1174	293.98	2.54	0.75	0.86
5	E	1174	1174	293.99	2.54	0.75	0.86
6	E	510	510	2.74	1.39	0.75	0.86
6	E	510	510	2.74	1.39	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.337
H2	0.000	0.000	1.424
F3	0.000	1.254	-0.128
F4	1.086	-0.627	-0.128
F5	-1.086	-0.627	-0.128

	C1	H2	F3	F4	F5
C1		1.0870	1.3374	1.3374	1.3374
H2	1.0870		1.9954	1.9954	1.9954
F3	1.3374	1.9954		2.1719	2.1719
F4	1.3374	1.9954	2.1719		2.1719
F5	1.3374	1.9954	2.1719	2.1719

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.352	H2	C1	F4	110.352
H2	C1	F5	110.352	F3	C1	F4	108.576
F3	C1	F5	108.576	F4	C1	F5	108.576

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-)