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	hartrees
Energy at 0K	-214.739709
Energy at 298.15K
HF Energy	-213.997877
Nuclear repulsion energy	79.596310

Atom	x (Å)	y (Å)	z (Å)
C1	0.019	0.509	0.047
F2	1.123	-0.311	-0.025
O3	-1.136	-0.215	-0.119
H4	0.066	1.007	1.013
H5	0.077	1.217	-0.771
H6	-1.276	-0.760	0.656

	C1	F2	O3	H4	H5	H6
C1		1.3772	1.3731	1.0878	1.0836	1.9129
F2	1.3772		2.2625	1.9825	1.9966	2.5337
O3	1.3731	2.2625		2.0539	1.9872	0.9574
H4	1.0878	1.9825	2.0539		1.7970	2.2474
H5	1.0836	1.9966	1.9872	1.7970		2.7890
H6	1.9129	2.5337	0.9574	2.2474	2.7890

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	109.024	F2	C1	O3	110.700
F2	C1	H4	106.486	F2	C1	H5	107.861
O3	C1	H4	112.639	O3	C1	H5	107.389
H4	C1	H5	111.698

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: CCSD=FULL/aug-cc-pVTZ

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=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)