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	hartrees
Energy at 0K	-253.785040
Energy at 298.15K
HF Energy	-252.951209
Nuclear repulsion energy	132.155035

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3896	3669	35.90
2	A	3168	2983	36.36
3	A	3155	2970	23.76
4	A	3106	2924	24.04
5	A	3071	2892	35.31
6	A	1546	1456	2.36
7	A	1539	1449	2.10
8	A	1482	1396	32.79
9	A	1452	1367	29.35
10	A	1425	1342	1.44
11	A	1314	1237	7.16
12	A	1266	1192	16.04
13	A	1176	1108	32.31
14	A	1151	1084	53.81
15	A	1109	1044	58.99
16	A	930	876	12.98
17	A	901	848	27.13
18	A	531	500	8.66
19	A	421	396	117.67
20	A	324	305	12.23
21	A	172	162	10.27

Atom	x (Å)	y (Å)	z (Å)
C1	0.685	0.586	0.273
C2	-0.720	0.561	-0.273
O3	1.417	-0.525	-0.186
F4	-1.317	-0.606	0.159
H5	1.201	1.483	-0.074
H6	0.645	0.619	1.368
H7	-1.309	1.409	0.084
H8	-0.708	0.553	-1.364
H9	0.896	-1.296	0.044

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5083	1.4071	2.3330	1.0906	1.0958	2.1656	2.1498	1.9082
C2	1.5083		2.3990	1.3801	2.1397	2.1352	1.0918	1.0910	2.4831
O3	1.4071	2.3990		2.7563	2.0220	2.0779	3.3529	2.6577	0.9588
F4	2.3330	1.3801	2.7563		3.2792	2.6097	2.0169	2.0078	2.3209
H5	1.0906	2.1397	2.0220	3.2792		1.7700	2.5153	2.4839	2.7981
H6	1.0958	2.1352	2.0779	2.6097	1.7700		2.4679	3.0488	2.3418
H7	2.1656	1.0918	3.3529	2.0169	2.5153	2.4679		1.7857	3.4907
H8	2.1498	1.0910	2.6577	2.0078	2.4839	3.0488	1.7857		2.8240
H9	1.9082	2.4831	0.9588	2.3209	2.7981	2.3418	3.4907	2.8240

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	107.660	C1	C2	H7	111.797
C1	C2	H8	110.570	C1	O3	H9	105.960
C2	C1	O3	110.700	C2	C1	H5	109.791
C2	C1	H6	109.128	O3	C1	H5	107.428
O3	C1	H6	111.630

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

using model chemistry: CCSD=FULL/6-31G(2df,p)

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: CCSD=FULL/6-31G(2df,p)

States and conformations

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