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	hartrees
Energy at 0K	-337.816352
Energy at 298.15K
HF Energy	-336.900229
Nuclear repulsion energy	133.952258

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	3202	3021	23.79	65.83	0.17	0.29
2	A₁	1163	1097	95.56	5.74	0.02	0.03
3	A₁	709	669	12.73	1.97	0.22	0.36
4	E	1421	1341	41.54	1.75	0.75	0.86
4	E	1421	1341	41.54	1.75	0.75	0.86
5	E	1181	1114	300.08	2.03	0.75	0.86
5	E	1181	1114	300.08	2.03	0.75	0.86
6	E	513	484	2.33	0.80	0.75	0.86
6	E	513	484	2.33	0.80	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.337
H2	0.000	0.000	1.423
F3	0.000	1.248	-0.128
F4	1.081	-0.624	-0.128
F5	-1.081	-0.624	-0.128

	C1	H2	F3	F4	F5
C1		1.0861	1.3318	1.3318	1.3318
H2	1.0861		1.9908	1.9908	1.9908
F3	1.3318	1.9908		2.1617	2.1617
F4	1.3318	1.9908	2.1617		2.1617
F5	1.3318	1.9908	2.1617	2.1617

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.429	H2	C1	F4	110.429
H2	C1	F5	110.429	F3	C1	F4	108.497
F3	C1	F5	108.497	F4	C1	F5	108.497

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

using model chemistry: MP2/6-311+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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All results from a given calculation for CHF3 (Methane, trifluoro-)

using model chemistry: MP2/6-311+G(3df,2p)

States and conformations

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