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	hartrees
Energy at 0K	-409.993109
Energy at 298.15K	-409.996022
HF Energy	-409.412571
Nuclear repulsion energy	200.545592

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3556	3448
2	A'	1484	1439
3	A'	1291	1252
4	A'	1140	1105
5	A'	852	826
6	A'	600	582
7	A'	570	552
8	A'	422	409
9	A"	1280	1241
10	A"	598	580
11	A"	435	422
12	A"	190	184

Atom	x (Å)	y (Å)	z (Å)
C1	0.004	0.021	0.000
O2	-1.063	0.892	0.000
F3	1.147	0.756	0.000
F4	0.004	-0.804	1.105
F5	0.004	-0.804	-1.105
H6	-1.922	0.397	0.000

	C1	O2	F3	F4	F5	H6
C1		1.3780	1.3581	1.3786	1.3786	1.9629
O2	1.3780		2.2140	2.2883	2.2883	0.9915
F3	1.3581	2.2140		2.2264	2.2264	3.0897
F4	1.3786	2.2883	2.2264		2.2096	2.5246
F5	1.3786	2.2883	2.2264	2.2096		2.5246
H6	1.9629	0.9915	3.0897	2.5246	2.5246

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	110.812	O2	C1	F3	108.030
O2	C1	F4	112.220	O2	C1	F5	112.220
F3	C1	F4	108.882	F3	C1	F5	108.882
F4	C1	F5	106.526

All results from a given calculation for CF₃OH (trifluoromethanol)

using model chemistry: MP4/3-21G

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: MP4/3-21G

States and conformations

All results from a given calculation for CF₃OH (trifluoromethanol)