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	hartrees
Energy at 0K	-337.660742
Energy at 298.15K
HF Energy	-336.907840
Nuclear repulsion energy	133.420140

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	3218	3051	34.96	63.46	0.19	0.32
2	A₁	1163	1103	114.07	3.84	0.01	0.01
3	A₁	713	676	14.93	2.10	0.35	0.52
4	E	1449	1373	61.13	3.50	0.75	0.86
4	E	1449	1373	61.13	3.50	0.75	0.86
5	E	1183	1121	316.49	2.22	0.75	0.86
5	E	1183	1121	316.49	2.22	0.75	0.86
6	E	518	491	2.93	1.34	0.75	0.86
6	E	518	491	2.93	1.34	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.338
H2	0.000	0.000	1.424
F3	0.000	1.253	-0.128
F4	1.086	-0.627	-0.128
F5	-1.086	-0.627	-0.128

	C1	H2	F3	F4	F5
C1		1.0862	1.3373	1.3373	1.3373
H2	1.0862		1.9950	1.9950	1.9950
F3	1.3373	1.9950		2.1711	2.1711
F4	1.3373	1.9950	2.1711		2.1711
F5	1.3373	1.9950	2.1711	2.1711

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.389	H2	C1	F4	110.389
H2	C1	F5	110.389	F3	C1	F4	108.538
F3	C1	F5	108.538	F4	C1	F5	108.538

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

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

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