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	hartrees
Energy at 0K	-214.743635
Energy at 298.15K
HF Energy	-213.998305
Nuclear repulsion energy	79.619853

Atom	x (Å)	y (Å)	z (Å)
C1	0.019	0.509	0.047
F2	1.122	-0.311	-0.025
O3	-1.135	-0.216	-0.119
H4	0.065	1.007	1.013
H5	0.077	1.217	-0.773
H6	-1.275	-0.758	0.658

	C1	F2	O3	H4	H5	H6
C1		1.3765	1.3727	1.0886	1.0845	1.9111
F2	1.3765		2.2610	1.9838	1.9969	2.5320
O3	1.3727	2.2610		2.0536	1.9870	0.9575
H4	1.0886	1.9838	2.0536		1.7987	2.2440
H5	1.0845	1.9969	1.9870	1.7987		2.7880
H6	1.9111	2.5320	0.9575	2.2440	2.7880

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	108.892	F2	C1	O3	110.653
F2	C1	H4	106.584	F2	C1	H5	107.876
O3	C1	H4	112.584	O3	C1	H5	107.348
H4	C1	H5	111.729

All results from a given calculation for CH₂FOH (fluoromethanol)

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

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)