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	hartrees
Energy at 0K	-338.113476
Energy at 298.15K
HF Energy	-338.113476
Nuclear repulsion energy	133.836419

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	3173	3016	52.42	65.96	0.22	0.36
2	A₁	1191	1132	114.70	3.75	0.01	0.02
3	A₁	713	677	16.97	1.37	0.46	0.63
4	E	1451	1379	106.26	3.59	0.75	0.86
4	E	1451	1379	106.31	3.59	0.75	0.86
5	E	1242	1180	219.67	3.75	0.75	0.86
5	E	1242	1180	219.84	3.74	0.75	0.86
6	E	512	486	3.67	1.04	0.75	0.86
6	E	512	486	3.67	1.04	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.339
H2	0.000	0.000	1.431
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		1.0921	1.3331	1.3331	1.3331
H2	1.0921		1.9978	1.9978	1.9978
F3	1.3331	1.9978		2.1622	2.1622
F4	1.3331	1.9978	2.1622		2.1622
F5	1.3331	1.9978	2.1622	2.1622

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.537	H2	C1	F4	110.537
H2	C1	F5	110.537	F3	C1	F4	108.384
F3	C1	F5	108.384	F4	C1	F5	108.384

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

using model chemistry: M06-2X/6-31G**

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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Number	Element	Mulliken
1	C	0.706
2	H	0.109
3	F	-0.272
4	F	-0.272
5	F	-0.272

	x	y	z	Total
	0.000	0.000	1.519	1.519
CHELPG
AIM
ESP

	x	y	z
x	1.964	0.000	0.000
y	0.000	1.964	-0.000
z	0.000	-0.000	1.944

<r²>	57.982
(<r²>)^1/2	7.615

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

using model chemistry: M06-2X/6-31G**

States and conformations

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