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	hartrees
Energy at 0K	-412.787997
Energy at 298.15K	-412.791160
HF Energy	-411.756998
Nuclear repulsion energy	206.015329

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3858	3654	82.13
2	A'	1455	1378	202.43
3	A'	1343	1272	575.31
4	A'	1150	1089	197.64
5	A'	915	866	6.77
6	A'	646	612	5.87
7	A'	612	579	20.03
8	A'	452	428	4.73
9	A"	1227	1162	442.95
10	A"	633	600	6.67
11	A"	470	445	29.71
12	A"	269	255	130.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.004	0.023	0.000
O2	-1.039	0.869	0.000
F3	1.118	0.734	0.000
F4	0.004	-0.781	1.076
F5	0.004	-0.781	-1.076
H6	-1.855	0.361	0.000

	C1	O2	F3	F4	F5	H6
C1		1.3429	1.3210	1.3429	1.3429	1.8902
O2	1.3429		2.1606	2.2289	2.2289	0.9621
F3	1.3210	2.1606		2.1660	2.1660	2.9966
F4	1.3429	2.2289	2.1660		2.1510	2.4331
F5	1.3429	2.2289	2.1660	2.1510		2.4331
H6	1.8902	0.9621	2.9966	2.4331	2.4331

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	109.059	O2	C1	F3	108.399
O2	C1	F4	112.169	O2	C1	F5	112.169
F3	C1	F4	108.792	F3	C1	F5	108.792
F4	C1	F5	106.426

All results from a given calculation for CF₃OH (trifluoromethanol)

using model chemistry: MP2=FULL/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: MP2=FULL/6-311G*

States and conformations

All results from a given calculation for CF₃OH (trifluoromethanol)