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	hartrees
Energy at 0K	-412.877191
Energy at 298.15K	-412.880345
HF Energy	-411.811729
Nuclear repulsion energy	205.623303

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3841	3672
2	A'	1443	1380
3	A'	1316	1258
4	A'	1147	1097
5	A'	906	866
6	A'	646	617
7	A'	612	585
8	A'	449	430
9	A"	1214	1161
10	A"	632	604
11	A"	462	441
12	A"	264	253

Atom	x (Å)	y (Å)	z (Å)
C1	0.005	0.023	0.000
O2	-1.045	0.873	0.000
F3	1.122	0.732	0.000
F4	0.005	-0.781	1.077
F5	0.005	-0.781	-1.077
H6	-1.851	0.341	0.000

	C1	O2	F3	F4	F5	H6
C1		1.3504	1.3234	1.3437	1.3437	1.8831
O2	1.3504		2.1711	2.2349	2.2349	0.9661
F3	1.3234	2.1711		2.1672	2.1672	2.9988
F4	1.3437	2.2349	2.1672		2.1542	2.4214
F5	1.3437	2.2349	2.1672	2.1542		2.4214
H6	1.8831	0.9661	2.9988	2.4214	2.4214

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	107.605	O2	C1	F3	108.575
O2	C1	F4	112.104	O2	C1	F5	112.104
F3	C1	F4	108.697	F3	C1	F5	108.697
F4	C1	F5	106.562

All results from a given calculation for CF₃OH (trifluoromethanol)

using model chemistry: CCSD(T)=FULL/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: CCSD(T)=FULL/TZVP

States and conformations

All results from a given calculation for CF₃OH (trifluoromethanol)