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	hartrees
Energy at 0K	-77.682725
Energy at 298.15K
HF Energy	-77.682725
Nuclear repulsion energy	77.368000

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	3416	3067	64.59	60.69	0.20	0.34
2	A₁	1248	1121	142.65	3.71	0.01	0.02
3	A₁	759	682	22.02	1.51	0.39	0.56
4	E	1548	1390	113.38	2.07	0.75	0.86
4	E	1548	1390	113.38	2.07	0.75	0.86
5	E	1312	1178	311.29	3.60	0.75	0.86
5	E	1312	1178	311.29	3.60	0.75	0.86
6	E	550	494	5.01	0.82	0.75	0.86
6	E	550	494	5.01	0.82	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.336
H2	0.000	0.000	1.420
F3	0.000	1.240	-0.127
F4	1.074	-0.620	-0.127
F5	-1.074	-0.620	-0.127

	C1	H2	F3	F4	F5
C1		1.0834	1.3236	1.3236	1.3236
H2	1.0834		1.9825	1.9825	1.9825
F3	1.3236	1.9825		2.1473	2.1473
F4	1.3236	1.9825	2.1473		2.1473
F5	1.3236	1.9825	2.1473	2.1473

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.504	H2	C1	F4	110.504
H2	C1	F5	110.504	F3	C1	F4	108.419
F3	C1	F5	108.419	F4	C1	F5	108.418

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

using model chemistry: HF/CEP-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	0.379
2	H	0.178
3	F	-0.186
4	F	-0.186
5	F	-0.186

	x	y	z	Total
	0.000	0.000	1.857	1.857
CHELPG
AIM
ESP

<r²>	48.192
(<r²>)^1/2	6.942

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

using model chemistry: HF/CEP-31G*

States and conformations

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