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	hartrees
Energy at 0K	-406.096485
Energy at 298.15K	-406.098982
HF Energy	-405.955238
Nuclear repulsion energy	196.690606

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3897	3398	23.50
2	A'	1616	1409	52.49
3	A'	1347	1174	133.86
4	A'	1277	1114	125.95
5	A'	887	773	0.79
6	A'	557	486	13.30
7	A'	529	461	16.08
8	A'	382	333	2.15
9	A"	1384	1206	153.16
10	A"	548	478	16.98
11	A"	390	340	8.77
12	A"	191	167	63.38

Atom	x (Å)	y (Å)	z (Å)
C1	0.010	0.015	0.000
O2	-1.435	0.094	0.000
F3	0.486	1.312	0.000
F4	0.486	-0.653	1.124
F5	0.486	-0.653	-1.124
H6	-1.694	-0.888	0.000

	C1	O2	F3	F4	F5	H6
C1		1.4472	1.3821	1.3909	1.3909	1.9284
O2	1.4472		2.2748	2.3473	2.3473	1.0153
F3	1.3821	2.2748		2.2639	2.2639	3.0972
F4	1.3909	2.3473	2.2639		2.2471	2.4635
F5	1.3909	2.3473	2.2639	2.2471		2.4635
H6	1.9284	1.0153	3.0972	2.4635	2.4635

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	101.646	O2	C1	F3	107.009
O2	C1	F4	111.578	O2	C1	F5	111.578
F3	C1	F4	109.452	F3	C1	F5	109.452
F4	C1	F5	107.753

All results from a given calculation for CF₃OH (trifluoromethanol)

using model chemistry: MP2/STO-3G

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/STO-3G

States and conformations

All results from a given calculation for CF₃OH (trifluoromethanol)