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	hartrees
Energy at 0K	-253.919388
Energy at 298.15K
HF Energy	-253.037187
Nuclear repulsion energy	130.973295

Atom	x (Å)	y (Å)	z (Å)
C1	0.680	0.576	0.285
C2	-0.718	0.556	-0.283
O3	1.456	-0.508	-0.190
F4	-1.360	-0.601	0.157
H5	1.183	1.489	-0.034
H6	0.628	0.574	1.379
H7	-1.299	1.413	0.062
H8	-0.699	0.524	-1.372
H9	1.002	-1.318	0.056

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5085	1.4150	2.3583	1.0908	1.0948	2.1601	2.1565	1.9340
C2	1.5085		2.4220	1.3952	2.1317	2.1385	1.0910	1.0901	2.5656
O3	1.4150	2.4220		2.8390	2.0215	2.0781	3.3679	2.6655	0.9607
F4	2.3583	1.3952	2.8390		3.2974	2.6130	2.0174	2.0106	2.4699
H5	1.0908	2.1317	2.0215	3.2974		1.7722	2.4848	2.5028	2.8141
H6	1.0948	2.1385	2.0781	2.6130	1.7722		2.4803	3.0549	2.3389
H7	2.1601	1.0910	3.3679	2.0174	2.4848	2.4803		1.7908	3.5705
H8	2.1565	1.0901	2.6655	2.0106	2.5028	3.0549	1.7908		2.8846
H9	1.9340	2.5656	0.9607	2.4699	2.8141	2.3389	3.5705	2.8846

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	108.555	C1	C2	H7	111.383
C1	C2	H8	111.147	C1	O3	H9	107.444
C2	C1	O3	111.838	C2	C1	H5	109.131
C2	C1	H6	109.428	O3	C1	H5	106.843
O3	C1	H6	111.141

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

using model chemistry: QCISD/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/aug-cc-pVTZ

States and conformations

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