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	hartrees
Energy at 0K	-94.163893
Energy at 298.15K	-94.166952
HF Energy	-93.385467
Nuclear repulsion energy	116.109174

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3793	3601	94.28
2	A'	1433	1360	196.17
3	A'	1312	1246	565.92
4	A'	1133	1076	198.08
5	A'	891	846	5.97
6	A'	628	596	6.19
7	A'	596	566	18.25
8	A'	436	414	4.61
9	A"	1193	1133	435.01
10	A"	614	583	4.55
11	A"	449	426	25.07
12	A"	261	248	133.18

Atom	x (Å)	y (Å)	z (Å)
C1	0.003	0.024	0.000
O2	-1.051	0.890	0.000
F3	1.135	0.737	0.000
F4	0.003	-0.792	1.089
F5	0.003	-0.792	-1.089
H6	-1.875	0.362	0.000

	C1	O2	F3	F4	F5	H6
C1		1.3635	1.3382	1.3604	1.3604	1.9078
O2	1.3635		2.1909	2.2633	2.2633	0.9791
F3	1.3382	2.1909		2.1920	2.1920	3.0334
F4	1.3604	2.2633	2.1920		2.1774	2.4580
F5	1.3604	2.2633	2.1920	2.1774		2.4580
H6	1.9078	0.9791	3.0334	2.4580	2.4580

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	107.933	O2	C1	F3	108.376
O2	C1	F4	112.383	O2	C1	F5	112.383
F3	C1	F4	108.636	F3	C1	F5	108.636
F4	C1	F5	106.310

All results from a given calculation for CF₃OH (trifluoromethanol)

using model chemistry: MP2/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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All results from a given calculation for CF3OH (trifluoromethanol)

using model chemistry: MP2/CEP-31G*

States and conformations

All results from a given calculation for CF₃OH (trifluoromethanol)