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	hartrees
Energy at 0K	-412.487222
Energy at 298.15K	-412.490296
HF Energy	-411.643609
Nuclear repulsion energy	204.543816

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3744	3602
2	A'	1479	1423
3	A'	1354	1303
4	A'	1165	1121
5	A'	906	871
6	A'	631	607
7	A'	598	575
8	A'	438	421
9	A"	1263	1215
10	A"	621	597
11	A"	454	437
12	A"	250	240

Atom	x (Å)	y (Å)	z (Å)
C1	0.004	0.022	0.000
O2	-1.047	0.876	0.000
F3	1.126	0.740	0.000
F4	0.004	-0.786	1.083
F5	0.004	-0.786	-1.083
H6	-1.866	0.347	0.000

	C1	O2	F3	F4	F5	H6
C1		1.3536	1.3320	1.3512	1.3512	1.8986
O2	1.3536		2.1770	2.2445	2.2445	0.9753
F3	1.3320	2.1770		2.1818	2.1818	3.0183
F4	1.3512	2.2445	2.1818		2.1656	2.4405
F5	1.3512	2.2445	2.1818	2.1656		2.4405
H6	1.8986	0.9753	3.0183	2.4405	2.4405

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	108.124	O2	C1	F3	108.313
O2	C1	F4	112.155	O2	C1	F5	112.155
F3	C1	F4	108.806	F3	C1	F5	108.806
F4	C1	F5	106.515

All results from a given calculation for CF₃OH (trifluoromethanol)

using model chemistry: CCSD(T)/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: CCSD(T)/6-31G*

States and conformations

All results from a given calculation for CF₃OH (trifluoromethanol)