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	hartrees
Energy at 0K	-253.889877
Energy at 298.15K
HF Energy	-253.032805
Nuclear repulsion energy	131.496859

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3924	3707	43.88
2	A	3166	2991	32.59
3	A	3147	2973	26.69
4	A	3105	2933	23.23
5	A	3069	2899	36.34
6	A	1530	1445	3.13
7	A	1522	1438	3.16
8	A	1470	1389	29.98
9	A	1439	1359	24.75
10	A	1417	1339	2.31
11	A	1305	1232	8.27
12	A	1254	1185	13.79
13	A	1169	1104	58.21
14	A	1146	1083	35.08
15	A	1105	1044	70.86
16	A	921	870	12.88
17	A	892	843	29.57
18	A	528	499	10.62
19	A	390	369	102.04
20	A	318	300	28.04
21	A	155	147	11.26

Atom	x (Å)	y (Å)	z (Å)
C1	0.680	0.575	0.281
C2	-0.719	0.552	-0.280
O3	1.450	-0.508	-0.188
F4	-1.351	-0.599	0.158
H5	1.179	1.486	-0.044
H6	0.631	0.587	1.373
H7	-1.296	1.409	0.062
H8	-0.699	0.526	-1.367
H9	0.984	-1.309	0.052

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5080	1.4094	2.3501	1.0881	1.0928	2.1564	2.1500	1.9221
C2	1.5080		2.4161	1.3839	2.1288	2.1342	1.0887	1.0880	2.5440
O3	1.4094	2.4161		2.8239	2.0181	2.0751	3.3587	2.6608	0.9567
F4	2.3501	1.3839	2.8239		3.2851	2.6103	2.0116	2.0040	2.4430
H5	1.0881	2.1288	2.0181	3.2851		1.7653	2.4784	2.4899	2.8035
H6	1.0928	2.1342	2.0751	2.6103	1.7653		2.4712	3.0464	2.3373
H7	2.1564	1.0887	3.3587	2.0116	2.4784	2.4712		1.7831	3.5478
H8	2.1500	1.0880	2.6608	2.0040	2.4899	3.0464	1.7831		2.8660
H9	1.9221	2.5440	0.9567	2.4430	2.8035	2.3373	3.5478	2.8660

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	108.636	C1	C2	H7	111.260
C1	C2	H8	110.793	C1	O3	H9	107.095
C2	C1	O3	111.776	C2	C1	H5	109.098
C2	C1	H6	109.246	O3	C1	H5	107.108
O3	C1	H6	111.427

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

using model chemistry: MP3/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: MP3/cc-pVTZ

States and conformations

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