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	hartrees
Energy at 0K	-412.716351
Energy at 298.15K	-412.719511
HF Energy	-411.765066
Nuclear repulsion energy	206.205873

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3914	3735	84.58
2	A'	1470	1402	190.73
3	A'	1361	1298	534.31
4	A'	1174	1120	195.67
5	A'	918	876	4.94
6	A'	647	617	7.55
7	A'	614	586	18.41
8	A'	451	430	4.16
9	A"	1256	1198	425.64
10	A"	635	605	7.74
11	A"	465	444	18.24
12	A"	253	242	112.38

Atom	x (Å)	y (Å)	z (Å)
C1	0.005	0.021	0.000
O2	-1.042	0.869	0.000
F3	1.118	0.733	0.000
F4	0.005	-0.778	1.075
F5	0.005	-0.778	-1.075
H6	-1.842	0.338	0.000

	C1	O2	F3	F4	F5	H6
C1		1.3464	1.3211	1.3395	1.3395	1.8734
O2	1.3464		2.1638	2.2277	2.2277	0.9604
F3	1.3211	2.1638		2.1628	2.1628	2.9860
F4	1.3395	2.2277	2.1628		2.1492	2.4104
F5	1.3395	2.2277	2.1628	2.1492		2.4104
H6	1.8734	0.9604	2.9860	2.4104	2.4104

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	107.424	O2	C1	F3	108.417
O2	C1	F4	112.072	O2	C1	F5	112.072
F3	C1	F4	108.754	F3	C1	F5	108.754
F4	C1	F5	106.681

All results from a given calculation for CF₃OH (trifluoromethanol)

using model chemistry: QCISD/6-311G**

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/6-311G**

States and conformations

All results from a given calculation for CF₃OH (trifluoromethanol)