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	hartrees
Energy at 0K	-412.958137
Energy at 298.15K	-412.961252
HF Energy	-411.814562
Nuclear repulsion energy	206.123170

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3857	3662	105.33
2	A'	1439	1366	192.06
3	A'	1318	1252	512.87
4	A'	1138	1081	175.60
5	A'	914	868	4.16
6	A'	645	613	5.23
7	A'	611	580	15.53
8	A'	447	424	4.01
9	A"	1219	1158	386.56
10	A"	631	599	3.26
11	A"	456	433	14.63
12	A"	236	224	111.61

Atom	x (Å)	y (Å)	z (Å)
C1	0.004	0.021	0.000
O2	-1.039	0.874	0.000
F3	1.119	0.729	0.000
F4	0.004	-0.780	1.074
F5	0.004	-0.780	-1.074
H6	-1.849	0.354	0.000

	C1	O2	F3	F4	F5	H6
C1		1.3469	1.3211	1.3399	1.3399	1.8828
O2	1.3469		2.1625	2.2305	2.2305	0.9635
F3	1.3211	2.1625		2.1620	2.1620	2.9921
F4	1.3399	2.2305	2.1620		2.1489	2.4233
F5	1.3399	2.2305	2.1620	2.1489		2.4233
H6	1.8828	0.9635	2.9921	2.4233	2.4233

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	108.006	O2	C1	F3	108.293
O2	C1	F4	112.234	O2	C1	F5	112.234
F3	C1	F4	108.677	F3	C1	F5	108.677
F4	C1	F5	106.622

All results from a given calculation for CF₃OH (trifluoromethanol)

using model chemistry: MP2/cc-pVTZ

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/cc-pVTZ

States and conformations

All results from a given calculation for CF₃OH (trifluoromethanol)