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	hartrees
Energy at 0K	-336.067365
Energy at 298.15K
HF Energy	-335.918362
Nuclear repulsion energy	130.576929

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	3199	3199	62.59	59.09	0.24	0.39
2	A₁	1120	1120	101.66	5.40	0.00	0.00
3	A₁	659	659	19.35	2.13	0.50	0.66
4	E	1466	1466	83.17	6.53	0.75	0.86
4	E	1466	1466	83.17	6.53	0.75	0.86
5	E	1205	1205	175.99	4.66	0.75	0.86
5	E	1205	1205	175.99	4.66	0.75	0.86
6	E	479	479	6.19	1.70	0.75	0.86
6	E	479	479	6.19	1.70	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.348
H2	0.000	0.000	1.432
F3	0.000	1.282	-0.130
F4	1.110	-0.641	-0.130
F5	-1.110	-0.641	-0.130

	C1	H2	F3	F4	F5
C1		1.0837	1.3683	1.3683	1.3683
H2	1.0837		2.0210	2.0210	2.0210
F3	1.3683	2.0210		2.2200	2.2200
F4	1.3683	2.0210	2.2200		2.2200
F5	1.3683	2.0210	2.2200	2.2200

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.485	H2	C1	F4	110.486
H2	C1	F5	110.486	F3	C1	F4	108.438
F3	C1	F5	108.438	F4	C1	F5	108.438

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

using model chemistry: B2PLYP=FULL/3-21G*

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/3-21G*

States and conformations

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