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	hartrees
Energy at 0K	-412.681892
Energy at 298.15K	-412.684903
HF Energy	-411.702097
Nuclear repulsion energy	203.586143

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3796	3654
2	A'	1417	1363
3	A'	1296	1248
4	A'	1112	1071
5	A'	871	838
6	A'	613	590
7	A'	580	558
8	A'	425	409
9	A"	1166	1123
10	A"	601	578
11	A"	437	421
12	A"	240	231

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	0.024	0.000
O2	-1.047	0.887	0.000
F3	1.135	0.736	0.000
F4	0.001	-0.791	1.088
F5	0.001	-0.791	-1.088
H6	-1.863	0.363	0.000

	C1	O2	F3	F4	F5	H6
C1		1.3569	1.3391	1.3597	1.3597	1.8946
O2	1.3569		2.1871	2.2574	2.2574	0.9702
F3	1.3391	2.1871		2.1914	2.1914	3.0215
F4	1.3597	2.2574	2.1914		2.1768	2.4474
F5	1.3597	2.2574	2.1914	2.1768		2.4474
H6	1.8946	0.9702	3.0215	2.4474	2.4474

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	107.847	O2	C1	F3	108.425
O2	C1	F4	112.391	O2	C1	F5	112.391
F3	C1	F4	108.579	F3	C1	F5	108.579
F4	C1	F5	106.352

All results from a given calculation for CF₃OH (trifluoromethanol)

using model chemistry: CCSD(T)/aug-cc-pVDZ

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)/aug-cc-pVDZ

States and conformations

All results from a given calculation for CF₃OH (trifluoromethanol)