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	hartrees
Energy at 0K	-253.950132
Energy at 298.15K
HF Energy	-253.036518
Nuclear repulsion energy	130.704626

Atom	x (Å)	y (Å)	z (Å)
C1	0.681	0.579	0.286
C2	-0.718	0.561	-0.284
O3	1.456	-0.512	-0.190
F4	-1.359	-0.604	0.158
H5	1.188	1.491	-0.037
H6	0.629	0.580	1.381
H7	-1.303	1.416	0.063
H8	-0.699	0.526	-1.375
H9	0.985	-1.318	0.051

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5106	1.4205	2.3618	1.0926	1.0968	2.1647	2.1598	1.9361
C2	1.5106		2.4259	1.4009	2.1358	2.1417	1.0929	1.0919	2.5580
O3	1.4205	2.4259		2.8377	2.0272	2.0845	3.3753	2.6694	0.9641
F4	2.3618	1.4009	2.8377		3.3043	2.6172	2.0235	2.0161	2.4529
H5	1.0926	2.1358	2.0272	3.3043		1.7764	2.4942	2.5064	2.8186
H6	1.0968	2.1417	2.0845	2.6172	1.7764		2.4838	3.0598	2.3452
H7	2.1647	1.0929	3.3753	2.0235	2.4942	2.4838		1.7954	3.5656
H8	2.1598	1.0919	2.6694	2.0161	2.5064	3.0598	1.7954		2.8764
H9	1.9361	2.5580	0.9641	2.4529	2.8186	2.3452	3.5656	2.8764

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	108.369	C1	C2	H7	111.485
C1	C2	H8	111.151	C1	O3	H9	107.011
C2	C1	O3	111.676	C2	C1	H5	109.207
C2	C1	H6	109.423	O3	C1	H5	106.818
O3	C1	H6	111.155

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

using model chemistry: QCISD(T)/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: QCISD(T)/aug-cc-pVTZ

States and conformations

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