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	hartrees
Energy at 0K	-412.791061
Energy at 298.15K	-412.794206
HF Energy	-411.811379
Nuclear repulsion energy	205.412124

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3836	3695
2	A'	1441	1388
3	A'	1312	1264
4	A'	1145	1103
5	A'	901	868
6	A'	643	620
7	A'	610	588
8	A'	448	431
9	A"	1210	1165
10	A"	630	607
11	A"	460	443
12	A"	264	254

Atom	x (Å)	y (Å)	z (Å)
C1	0.005	0.023	0.000
O2	-1.046	0.874	0.000
F3	1.123	0.733	0.000
F4	0.005	-0.781	1.078
F5	0.005	-0.781	-1.078
H6	-1.852	0.341	0.000

	C1	O2	F3	F4	F5	H6
C1		1.3518	1.3247	1.3452	1.3452	1.8838
O2	1.3518		2.1731	2.2374	2.2374	0.9665
F3	1.3247	2.1731		2.1696	2.1696	3.0007
F4	1.3452	2.2374	2.1696		2.1565	2.4229
F5	1.3452	2.2374	2.1696	2.1565		2.4229
H6	1.8838	0.9665	3.0007	2.4229	2.4229

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	107.540	O2	C1	F3	108.565
O2	C1	F4	112.111	O2	C1	F5	112.111
F3	C1	F4	108.698	F3	C1	F5	108.698
F4	C1	F5	106.555

All results from a given calculation for CF₃OH (trifluoromethanol)

using model chemistry: QCISD(T)/TZVP

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(T)/TZVP

States and conformations

All results from a given calculation for CF₃OH (trifluoromethanol)