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	hartrees
Energy at 0K	-253.911711
Energy at 298.15K
HF Energy	-253.037493
Nuclear repulsion energy	131.123127

Atom	x (Å)	y (Å)	z (Å)
C1	0.679	0.574	0.285
C2	-0.719	0.552	-0.282
O3	1.457	-0.505	-0.190
F4	-1.360	-0.600	0.157
H5	1.178	1.489	-0.033
H6	0.628	0.573	1.378
H7	-1.298	1.411	0.060
H8	-0.699	0.521	-1.371
H9	1.012	-1.317	0.059

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5084	1.4126	2.3559	1.0901	1.0943	2.1582	2.1546	1.9333
C2	1.5084		2.4210	1.3898	2.1305	2.1376	1.0906	1.0897	2.5700
O3	1.4126	2.4210		2.8399	2.0196	2.0761	3.3649	2.6634	0.9592
F4	2.3559	1.3898	2.8399		3.2929	2.6108	2.0143	2.0074	2.4795
H5	1.0901	2.1305	2.0196	3.2929		1.7701	2.4790	2.5001	2.8127
H6	1.0943	2.1376	2.0761	2.6108	1.7701		2.4792	3.0527	2.3369
H7	2.1582	1.0906	3.3649	2.0143	2.4790	2.4792		1.7884	3.5742
H8	2.1546	1.0897	2.6634	2.0074	2.5001	3.0527	1.7884		2.8892
H9	1.9333	2.5700	0.9592	2.4795	2.8127	2.3369	3.5742	2.8892

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	108.684	C1	C2	H7	111.265
C1	C2	H8	111.029	C1	O3	H9	107.656
C2	C1	O3	111.909	C2	C1	H5	109.083
C2	C1	H6	109.399	O3	C1	H5	106.894
O3	C1	H6	111.184

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

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

using model chemistry: CCD/aug-cc-pVTZ

States and conformations

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