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	hartrees
Energy at 0K	-412.500865
Energy at 298.15K	-412.503964
HF Energy	-411.664888
Nuclear repulsion energy	204.841746

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3908	3682	100.33
2	A'	1458	1374	200.24
3	A'	1349	1271	525.75
4	A'	1156	1089	184.19
5	A'	912	860	5.57
6	A'	635	598	7.38
7	A'	601	567	19.93
8	A'	441	416	4.27
9	A"	1238	1166	415.57
10	A"	625	589	7.28
11	A"	454	428	19.49
12	A"	250	235	124.82

Atom	x (Å)	y (Å)	z (Å)
C1	0.002	0.024	0.000
O2	-1.043	0.877	0.000
F3	1.128	0.734	0.000
F4	0.002	-0.785	1.081
F5	0.002	-0.785	-1.081
H6	-1.863	0.368	0.000

	C1	O2	F3	F4	F5	H6
C1		1.3487	1.3313	1.3504	1.3504	1.8962
O2	1.3487		2.1758	2.2411	2.2411	0.9653
F3	1.3313	2.1758		2.1782	2.1782	3.0135
F4	1.3504	2.2411	2.1782		2.1629	2.4445
F5	1.3504	2.2411	2.1782	2.1629		2.4445
H6	1.8962	0.9653	3.0135	2.4445	2.4445

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	108.932	O2	C1	F3	108.552
O2	C1	F4	112.258	O2	C1	F5	112.258
F3	C1	F4	108.622	F3	C1	F5	108.622
F4	C1	F5	106.413

All results from a given calculation for CF₃OH (trifluoromethanol)

using model chemistry: CCD/6-31+G**

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: CCD/6-31+G**

States and conformations

All results from a given calculation for CF₃OH (trifluoromethanol)