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	hartrees
Energy at 0K	-409.915693
Energy at 298.15K	-409.918724
HF Energy	-409.416525
Nuclear repulsion energy	202.969172

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3728	3469	71.94
2	A'	1544	1437	222.93
3	A'	1373	1277	424.80
4	A'	1184	1101	243.77
5	A'	914	850	0.43
6	A'	631	588	14.04
7	A'	598	556	33.31
8	A'	442	411	4.99
9	A"	1356	1262	404.98
10	A"	630	586	31.53
11	A"	454	423	22.66
12	A"	195	181	161.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.004	0.021	0.000
O2	-1.053	0.878	0.000
F3	1.136	0.744	0.000
F4	0.004	-0.792	1.091
F5	0.004	-0.792	-1.091
H6	-1.913	0.411	0.000

	C1	O2	F3	F4	F5	H6
C1		1.3607	1.3428	1.3613	1.3613	1.9571
O2	1.3607		2.1930	2.2582	2.2582	0.9796
F3	1.3428	2.1930		2.1983	2.1983	3.0678
F4	1.3613	2.2582	2.1983		2.1827	2.5134
F5	1.3613	2.2582	2.1983	2.1827		2.5134
H6	1.9571	0.9796	3.0678	2.5134	2.5134

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	112.471	O2	C1	F3	108.412
O2	C1	F4	112.111	O2	C1	F5	112.111
F3	C1	F4	108.767	F3	C1	F5	108.767
F4	C1	F5	106.580

All results from a given calculation for CF₃OH (trifluoromethanol)

using model chemistry: CID/3-21G*

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: CID/3-21G*

States and conformations

All results from a given calculation for CF₃OH (trifluoromethanol)