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	hartrees
Energy at 0K	-412.141251
Energy at 298.15K	-412.143967
HF Energy	-411.582773
Nuclear repulsion energy	196.044146

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3674	3546	109.33
2	A'	1372	1324	131.92
3	A'	1164	1123	573.29
4	A'	1016	981	220.80
5	A'	782	755	8.68
6	A'	553	534	4.50
7	A'	530	511	29.90
8	A'	385	372	5.19
9	A"	1039	1003	419.00
10	A"	549	530	9.95
11	A"	402	388	51.80
12	A"	229	221	169.32

Atom	x (Å)	y (Å)	z (Å)
C1	-0.008	0.037	0.000
O2	-1.065	0.922	0.000
F3	1.183	0.756	0.000
F4	-0.008	-0.827	1.135
F5	-0.008	-0.827	-1.135
H6	-1.949	0.486	0.000

	C1	O2	F3	F4	F5	H6
C1		1.3784	1.3910	1.4263	1.4263	1.9921
O2	1.3784		2.2541	2.3374	2.3374	0.9855
F3	1.3910	2.2541		2.2827	2.2827	3.1434
F4	1.4263	2.3374	2.2827		2.2698	2.6038
F5	1.4263	2.3374	2.2827	2.2698		2.6038
H6	1.9921	0.9855	3.1434	2.6038	2.6038

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	113.828	O2	C1	F3	108.960
O2	C1	F4	112.885	O2	C1	F5	112.885
F3	C1	F4	108.233	F3	C1	F5	108.233
F4	C1	F5	105.436

All results from a given calculation for CF₃OH (trifluoromethanol)

using model chemistry: MP2/SDD

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/SDD

States and conformations

All results from a given calculation for CF₃OH (trifluoromethanol)