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	hartrees
Energy at 0K	-412.076845
Energy at 298.15K	-412.079743
HF Energy	-411.487876
Nuclear repulsion energy	198.218284

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3662	3529	76.84
2	A'	1446	1393	154.76
3	A'	1264	1218	456.29
4	A'	1112	1072	205.44
5	A'	833	803	2.21
6	A'	580	559	8.96
7	A'	552	532	30.20
8	A'	403	388	4.90
9	A"	1201	1157	381.91
10	A"	577	556	21.99
11	A"	420	404	44.72
12	A"	247	238	154.98

Atom	x (Å)	y (Å)	z (Å)
C1	-0.002	0.028	0.000
O2	-1.065	0.902	0.000
F3	1.166	0.760	0.000
F4	-0.002	-0.815	1.121
F5	-0.002	-0.815	-1.121
H6	-1.932	0.445	0.000

	C1	O2	F3	F4	F5	H6
C1		1.3761	1.3785	1.4026	1.4026	1.9751
O2	1.3761		2.2361	2.3094	2.3094	0.9797
F3	1.3785	2.2361		2.2586	2.2586	3.1146
F4	1.4026	2.3094	2.2586		2.2419	2.5635
F5	1.4026	2.3094	2.2586	2.2419		2.5635
H6	1.9751	0.9797	3.1146	2.5635	2.5635

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	112.860	O2	C1	F3	108.541
O2	C1	F4	112.424	O2	C1	F5	112.424
F3	C1	F4	108.609	F3	C1	F5	108.609
F4	C1	F5	106.106

All results from a given calculation for CF₃OH (trifluoromethanol)

using model chemistry: QCISD/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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All results from a given calculation for CF3OH (trifluoromethanol)

using model chemistry: QCISD/6-31G

States and conformations

All results from a given calculation for CF₃OH (trifluoromethanol)