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	hartrees
Energy at 0K	-406.097058
Energy at 298.15K	-406.099555
HF Energy	-405.955252
Nuclear repulsion energy	196.700390

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3897	3464	23.53
2	A'	1617	1437	52.48
3	A'	1347	1198	133.90
4	A'	1277	1135	125.88
5	A'	887	789	0.79
6	A'	557	496	13.30
7	A'	529	470	16.08
8	A'	382	339	2.15
9	A"	1384	1230	153.13
10	A"	548	487	16.98
11	A"	390	347	8.77
12	A"	191	170	63.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.010	0.015	0.000
O2	-1.435	0.094	0.000
F3	0.486	1.312	0.000
F4	0.486	-0.653	1.123
F5	0.486	-0.653	-1.123
H6	-1.694	-0.888	0.000

	C1	O2	F3	F4	F5	H6
C1		1.4471	1.3820	1.3909	1.3909	1.9283
O2	1.4471		2.2746	2.3472	2.3472	1.0153
F3	1.3820	2.2746		2.2638	2.2638	3.0971
F4	1.3909	2.3472	2.2638		2.2470	2.4634
F5	1.3909	2.3472	2.2638	2.2470		2.4634
H6	1.9283	1.0153	3.0971	2.4634	2.4634

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	101.649	O2	C1	F3	107.008
O2	C1	F4	111.579	O2	C1	F5	111.579
F3	C1	F4	109.452	F3	C1	F5	109.452
F4	C1	F5	107.752

All results from a given calculation for CF₃OH (trifluoromethanol)

using model chemistry: MP2=FULL/STO-3G

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: MP2=FULL/STO-3G

States and conformations

All results from a given calculation for CF₃OH (trifluoromethanol)