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	hartrees
Energy at 0K	-78.815768
Energy at 298.15K
HF Energy	-78.815768
Nuclear repulsion energy	76.112151

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	3194	3194	52.65	68.03	0.21	0.35
2	A₁	1146	1146	105.61	4.16	0.01	0.02
3	A₁	697	697	14.95	2.19	0.40	0.57
4	E	1412	1412	69.83	2.84	0.75	0.86
4	E	1412	1412	70.60	2.74	0.75	0.86
5	E	1171	1171	303.51	2.98	0.75	0.86
5	E	1171	1171	304.69	3.01	0.75	0.86
6	E	504	504	2.82	1.15	0.75	0.86
6	E	504	504	2.82	1.15	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.340
H2	0.000	0.000	1.440
F3	0.000	1.261	-0.129
F4	1.092	-0.630	-0.129
F5	-1.092	-0.630	-0.129

	C1	H2	F3	F4	F5
C1		1.0990	1.3453	1.3453	1.3453
H2	1.0990		2.0124	2.0124	2.0124
F3	1.3453	2.0124		2.1837	2.1837
F4	1.3453	2.0124	2.1837		2.1837
F5	1.3453	2.0124	2.1837	2.1837

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.424	H2	C1	F4	110.424
H2	C1	F5	110.424	F3	C1	F4	108.502
F3	C1	F5	108.502	F4	C1	F5	108.502

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

using model chemistry: wB97X-D/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	0.133
2	H	0.200
3	F	-0.111
4	F	-0.111
5	F	-0.111

	x	y	z	Total
	0.000	0.000	1.737	1.737
CHELPG
AIM
ESP

	x	y	z
x	2.092	0.000	0.000
y	0.000	2.108	-0.001
z	0.000	-0.001	1.907

<r²>	49.236
(<r²>)^1/2	7.017

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

using model chemistry: wB97X-D/CEP-31G*

States and conformations

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