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	hartrees
Energy at 0K	-412.960313
Energy at 298.15K	-412.963465
HF Energy	-411.815593
Nuclear repulsion energy	206.812846

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3889	3661	94.30
2	A'	1470	1384	202.48
3	A'	1353	1273	499.45
4	A'	1169	1100	168.19
5	A'	930	876	3.20
6	A'	654	616	6.57
7	A'	619	582	16.33
8	A'	453	426	4.05
9	A"	1261	1187	387.72
10	A"	640	603	5.09
11	A"	463	435	13.59
12	A"	236	222	112.50

Atom	x (Å)	y (Å)	z (Å)
C1	0.005	0.020	0.000
O2	-1.039	0.869	0.000
F3	1.116	0.727	0.000
F4	0.005	-0.776	1.070
F5	0.005	-0.776	-1.070
H6	-1.849	0.353	0.000

	C1	O2	F3	F4	F5	H6
C1		1.3456	1.3166	1.3337	1.3337	1.8834
O2	1.3456		2.1592	2.2229	2.2229	0.9605
F3	1.3166	2.1592		2.1535	2.1535	2.9879
F4	1.3337	2.2229	2.1535		2.1405	2.4199
F5	1.3337	2.2229	2.1535	2.1405		2.4199
H6	1.8834	0.9605	2.9879	2.4199	2.4199

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	108.354	O2	C1	F3	108.392
O2	C1	F4	112.124	O2	C1	F5	112.124
F3	C1	F4	108.686	F3	C1	F5	108.686
F4	C1	F5	106.731

All results from a given calculation for CF₃OH (trifluoromethanol)

using model chemistry: CCSD/cc-pVTZ

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/cc-pVTZ

States and conformations

All results from a given calculation for CF₃OH (trifluoromethanol)