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	hartrees
Energy at 0K	-412.488498
Energy at 298.15K	-412.491568
HF Energy	-411.643471
Nuclear repulsion energy	204.466433

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3743	3591
2	A'	1477	1417
3	A'	1352	1297
4	A'	1163	1116
5	A'	903	866
6	A'	630	604
7	A'	597	572
8	A'	437	419
9	A"	1260	1209
10	A"	620	594
11	A"	453	435
12	A"	249	239

Atom	x (Å)	y (Å)	z (Å)
C1	0.004	0.022	0.000
O2	-1.047	0.876	0.000
F3	1.127	0.740	0.000
F4	0.004	-0.786	1.083
F5	0.004	-0.786	-1.083
H6	-1.867	0.348	0.000

	C1	O2	F3	F4	F5	H6
C1		1.3539	1.3325	1.3519	1.3519	1.8988
O2	1.3539		2.1776	2.2453	2.2453	0.9754
F3	1.3325	2.1776		2.1828	2.1828	3.0189
F4	1.3519	2.2453	2.1828		2.1665	2.4411
F5	1.3519	2.2453	2.1828	2.1665		2.4411
H6	1.8988	0.9754	3.0189	2.4411	2.4411

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	108.108	O2	C1	F3	108.307
O2	C1	F4	112.159	O2	C1	F5	112.159
F3	C1	F4	108.808	F3	C1	F5	108.808
F4	C1	F5	106.510

All results from a given calculation for CF₃OH (trifluoromethanol)

using model chemistry: QCISD(T)/6-31G*

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: QCISD(T)/6-31G*

States and conformations

All results from a given calculation for CF₃OH (trifluoromethanol)