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	hartrees
Energy at 0K	-412.467908
Energy at 298.15K
HF Energy	-411.652262
Nuclear repulsion energy	205.537728

Atom	x (Å)	y (Å)	z (Å)
C1	0.005	0.018	0.000
O2	-1.042	0.869	0.000
F3	1.119	0.738	0.000
F4	0.005	-0.782	1.080
F5	0.005	-0.782	-1.080
H6	-1.859	0.364	0.000

	C1	O2	F3	F4	F5	H6
C1		1.3499	1.3259	1.3439	1.3439	1.8964
O2	1.3499		2.1648	2.2339	2.2339	0.9608
F3	1.3259	2.1648		2.1717	2.1717	3.0013
F4	1.3439	2.2339	2.1717		2.1599	2.4405
F5	1.3439	2.2339	2.1717	2.1599		2.4405
H6	1.8964	0.9608	3.0013	2.4405	2.4405

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	109.153	O2	C1	F3	107.996
O2	C1	F4	112.048	O2	C1	F5	112.048
F3	C1	F4	108.860	F3	C1	F5	108.860
F4	C1	F5	106.954

All results from a given calculation for CF₃OH (trifluoromethanol)

using model chemistry: MP3/6-31+G**

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: MP3/6-31+G**

States and conformations

All results from a given calculation for CF₃OH (trifluoromethanol)