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	hartrees
Energy at 0K	-412.461511
Energy at 298.15K	-412.464632
HF Energy	-411.644881
Nuclear repulsion energy	205.262222

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3795	3592	85.00
2	A'	1499	1419	208.30
3	A'	1380	1306	503.97
4	A'	1185	1122	167.17
5	A'	926	876	3.43
6	A'	643	608	7.15
7	A'	608	576	20.38
8	A'	446	422	4.29
9	A"	1294	1225	394.38
10	A"	632	598	9.76
11	A"	461	436	23.40
12	A"	252	239	123.61

Atom	x (Å)	y (Å)	z (Å)
C1	0.005	0.022	0.000
O2	-1.044	0.872	0.000
F3	1.123	0.737	0.000
F4	0.005	-0.783	1.079
F5	0.005	-0.783	-1.079
H6	-1.865	0.350	0.000

	C1	O2	F3	F4	F5	H6
C1		1.3501	1.3275	1.3456	1.3456	1.8979
O2	1.3501		2.1718	2.2362	2.2362	0.9724
F3	1.3275	2.1718		2.1733	2.1733	3.0129
F4	1.3456	2.2362	2.1733		2.1572	2.4372
F5	1.3456	2.2362	2.1733	2.1572		2.4372
H6	1.8979	0.9724	3.0129	2.4372	2.4372

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	108.511	O2	C1	F3	108.397
O2	C1	F4	112.107	O2	C1	F5	112.107
F3	C1	F4	108.785	F3	C1	F5	108.785
F4	C1	F5	106.569

All results from a given calculation for CF₃OH (trifluoromethanol)

using model chemistry: CCD/6-31G*

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: CCD/6-31G*

States and conformations

All results from a given calculation for CF₃OH (trifluoromethanol)