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	hartrees
Energy at 0K	-253.913937
Energy at 298.15K
HF Energy	-253.037876
Nuclear repulsion energy	131.128428

Atom	x (Å)	y (Å)	z (Å)
C1	0.679	0.574	0.285
C2	-0.719	0.553	-0.282
O3	1.457	-0.505	-0.191
F4	-1.359	-0.600	0.157
H5	1.179	1.489	-0.033
H6	0.627	0.573	1.378
H7	-1.298	1.411	0.060
H8	-0.698	0.521	-1.371
H9	1.012	-1.317	0.061

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5084	1.4128	2.3557	1.0901	1.0943	2.1583	2.1545	1.9332
C2	1.5084		2.4204	1.3899	2.1306	2.1376	1.0906	1.0897	2.5705
O3	1.4128	2.4204		2.8389	2.0198	2.0762	3.3646	2.6625	0.9592
F4	2.3557	1.3899	2.8389		3.2929	2.6104	2.0144	2.0076	2.4791
H5	1.0901	2.1306	2.0198	3.2929		1.7705	2.4795	2.5000	2.8127
H6	1.0943	2.1376	2.0762	2.6104	1.7705		2.4795	3.0526	2.3354
H7	2.1583	1.0906	3.3646	2.0144	2.4795	2.4795		1.7886	3.5744
H8	2.1545	1.0897	2.6625	2.0076	2.5000	3.0526	1.7886		2.8902
H9	1.9332	2.5705	0.9592	2.4791	2.8127	2.3354	3.5744	2.8902

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	108.669	C1	C2	H7	111.273
C1	C2	H8	111.018	C1	O3	H9	107.636
C2	C1	O3	111.863	C2	C1	H5	109.094
C2	C1	H6	109.402	O3	C1	H5	106.896
O3	C1	H6	111.185

All results from a given calculation for CH₂FCH₂OH (2-fluoroethanol)

using model chemistry: CCD/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 CH2FCH2OH (2-fluoroethanol)

using model chemistry: CCD/daug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂FCH₂OH (2-fluoroethanol)