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	hartrees
Energy at 0K	-412.702157
Energy at 298.15K	-412.705324
HF Energy	-411.757229
Nuclear repulsion energy	206.147552

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3858	3693	63.44
2	A'	1474	1411	203.68
3	A'	1360	1302	549.93
4	A'	1170	1120	193.41
5	A'	918	879	5.28
6	A'	647	620	7.07
7	A'	613	586	20.35
8	A'	452	433	4.67
9	A"	1253	1200	437.00
10	A"	635	608	8.65
11	A"	469	449	26.82
12	A"	265	254	128.82

Atom	x (Å)	y (Å)	z (Å)
C1	0.005	0.022	0.000
O2	-1.041	0.868	0.000
F3	1.117	0.733	0.000
F4	0.005	-0.780	1.074
F5	0.005	-0.780	-1.074
H6	-1.856	0.359	0.000

	C1	O2	F3	F4	F5	H6
C1		1.3455	1.3202	1.3404	1.3404	1.8919
O2	1.3455		2.1624	2.2279	2.2279	0.9615
F3	1.3202	2.1624		2.1634	2.1634	2.9972
F4	1.3404	2.2279	2.1634		2.1485	2.4322
F5	1.3404	2.2279	2.1634	2.1485		2.4322
H6	1.8919	0.9615	2.9972	2.4322	2.4322

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	109.049	O2	C1	F3	108.424
O2	C1	F4	112.091	O2	C1	F5	112.091
F3	C1	F4	108.806	F3	C1	F5	108.806
F4	C1	F5	106.534

All results from a given calculation for CF₃OH (trifluoromethanol)

using model chemistry: QCISD/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: QCISD/6-311G*

States and conformations

All results from a given calculation for CF₃OH (trifluoromethanol)