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	hartrees
Energy at 0K	-214.739614
Energy at 298.15K
HF Energy	-214.011123
Nuclear repulsion energy	79.602303

Atom	x (Å)	y (Å)	z (Å)
C1	0.020	0.508	0.047
F2	1.123	-0.311	-0.025
O3	-1.137	-0.215	-0.119
H4	0.067	1.008	1.013
H5	0.077	1.218	-0.772
H6	-1.276	-0.759	0.656

	C1	F2	O3	H4	H5	H6
C1		1.3757	1.3732	1.0895	1.0850	1.9115
F2	1.3757		2.2637	1.9832	1.9971	2.5339
O3	1.3732	2.2637		2.0553	1.9875	0.9566
H4	1.0895	1.9832	2.0553		1.7973	2.2481
H5	1.0850	1.9971	1.9875	1.7973		2.7883
H6	1.9115	2.5339	0.9566	2.2481	2.7883

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	108.949	F2	C1	O3	110.877
F2	C1	H4	106.539	F2	C1	H5	107.919
O3	C1	H4	112.634	O3	C1	H5	107.326
H4	C1	H5	111.485

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: CCSD/cc-pVQZ

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 CH2FOH (fluoromethanol)

using model chemistry: CCSD/cc-pVQZ

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)