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	hartrees
Energy at 0K	-214.772827
Energy at 298.15K
HF Energy	-214.011663
Nuclear repulsion energy	79.254864

Atom	x (Å)	y (Å)	z (Å)
C1	0.018	0.511	0.047
F2	1.129	-0.311	-0.025
O3	-1.141	-0.217	-0.119
H4	0.067	1.010	1.016
H5	0.075	1.219	-0.776
H6	-1.282	-0.757	0.662

	C1	F2	O3	H4	H5	H6
C1		1.3843	1.3783	1.0919	1.0873	1.9171
F2	1.3843		2.2737	1.9901	2.0043	2.5461
O3	1.3783	2.2737		2.0626	1.9934	0.9603
H4	1.0919	1.9901	2.0626		1.8048	2.2511
H5	1.0873	2.0043	1.9934	1.8048		2.7958
H6	1.9171	2.5461	0.9603	2.2511	2.7958

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	108.806	F2	C1	O3	110.782
F2	C1	H4	106.369	F2	C1	H5	107.769
O3	C1	H4	112.713	O3	C1	H5	107.308
H4	C1	H5	111.828

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: CCSD(T)/aug-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(T)/aug-cc-pVQZ

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)