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	hartrees
Energy at 0K	-337.914232
Energy at 298.15K
HF Energy	-336.912916
Nuclear repulsion energy	133.982285

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	3204	3204	22.86	65.83	0.16	0.28
2	A₁	1165	1165	94.01	6.63	0.02	0.03
3	A₁	709	709	12.97	2.02	0.19	0.31
4	E	1426	1426	44.20	1.56	0.75	0.86
4	E	1426	1426	44.20	1.56	0.75	0.86
5	E	1182	1182	296.21	1.90	0.75	0.86
5	E	1182	1182	296.21	1.90	0.75	0.86
6	E	513	513	2.34	0.72	0.75	0.86
6	E	513	513	2.34	0.72	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.339
H2	0.000	0.000	1.422
F3	0.000	1.248	-0.128
F4	1.080	-0.624	-0.128
F5	-1.080	-0.624	-0.128

	C1	H2	F3	F4	F5
C1		1.0837	1.3320	1.3320	1.3320
H2	1.0837		1.9899	1.9899	1.9899
F3	1.3320	1.9899		2.1608	2.1608
F4	1.3320	1.9899	2.1608		2.1608
F5	1.3320	1.9899	2.1608	2.1608

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.508	H2	C1	F4	110.508
H2	C1	F5	110.508	F3	C1	F4	108.414
F3	C1	F5	108.414	F4	C1	F5	108.414

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

using model chemistry: MP2=FULL/daug-cc-pVTZ

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/daug-cc-pVTZ

States and conformations

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