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	hartrees
Energy at 0K	-412.683410
Energy at 298.15K	-412.686415
HF Energy	-411.701901
Nuclear repulsion energy	203.487062

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3793	3709
2	A'	1414	1383
3	A'	1293	1265
4	A'	1110	1085
5	A'	867	848
6	A'	611	598
7	A'	579	566
8	A'	425	415
9	A"	1163	1137
10	A"	599	586
11	A"	436	427
12	A"	240	234

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	0.024	0.000
O2	-1.047	0.887	0.000
F3	1.136	0.737	0.000
F4	0.001	-0.791	1.089
F5	0.001	-0.791	-1.089
H6	-1.864	0.363	0.000

	C1	O2	F3	F4	F5	H6
C1		1.3573	1.3398	1.3605	1.3605	1.8948
O2	1.3573		2.1879	2.2585	2.2585	0.9704
F3	1.3398	2.1879		2.1926	2.1926	3.0224
F4	1.3605	2.2585	2.1926		2.1780	2.4482
F5	1.3605	2.2585	2.1926	2.1780		2.4482
H6	1.8948	0.9704	3.0224	2.4482	2.4482

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	107.825	O2	C1	F3	108.422
O2	C1	F4	112.400	O2	C1	F5	112.400
F3	C1	F4	108.576	F3	C1	F5	108.576
F4	C1	F5	106.344

All results from a given calculation for CF₃OH (trifluoromethanol)

using model chemistry: QCISD(T)/aug-cc-pVDZ

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)/aug-cc-pVDZ

States and conformations

All results from a given calculation for CF₃OH (trifluoromethanol)