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	hartrees
Energy at 0K	-412.973831
Energy at 298.15K	-412.976935
HF Energy	-411.837250
Nuclear repulsion energy	206.106930

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3856	3669	107.51
2	A'	1436	1366	191.94
3	A'	1312	1248	521.16
4	A'	1136	1081	180.83
5	A'	912	868	4.48
6	A'	644	613	4.85
7	A'	611	581	15.72
8	A'	447	425	4.06
9	A"	1210	1151	393.99
10	A"	630	599	3.10
11	A"	456	434	14.58
12	A"	239	228	112.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.003	0.017	0.000
O2	-1.033	0.877	0.000
F3	1.116	0.727	0.000
F4	0.003	-0.780	1.076
F5	0.003	-0.780	-1.076
H6	-1.853	0.374	0.000

	C1	O2	F3	F4	F5	H6
C1		1.3463	1.3198	1.3392	1.3392	1.8897
O2	1.3463		2.1549	2.2305	2.2305	0.9609
F3	1.3198	2.1549		2.1600	2.1600	2.9896
F4	1.3392	2.2305	2.1600		2.1523	2.4358
F5	1.3392	2.2305	2.1600	2.1523		2.4358
H6	1.8897	0.9609	2.9896	2.4358	2.4358

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	108.837	O2	C1	F3	107.847
O2	C1	F4	112.318	O2	C1	F5	112.318
F3	C1	F4	108.652	F3	C1	F5	108.652
F4	C1	F5	106.953

All results from a given calculation for CF₃OH (trifluoromethanol)

using model chemistry: MP2/Def2TZVPP

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/Def2TZVPP

States and conformations

All results from a given calculation for CF₃OH (trifluoromethanol)