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	hartrees
Energy at 0K	-254.051615
Energy at 298.15K
HF Energy	-253.835518
Nuclear repulsion energy	131.025858

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A	3795	3637	35.68	52.91	0.24	0.39
2	A	3141	3010	43.82	59.73	0.74	0.85
3	A	3119	2989	34.40	93.02	0.35	0.52
4	A	3074	2946	29.01	120.46	0.14	0.25
5	A	3019	2894	52.98	124.62	0.19	0.33
6	A	1492	1430	1.57	1.98	0.75	0.86
7	A	1489	1427	4.74	14.15	0.74	0.85
8	A	1446	1386	45.14	4.85	0.49	0.66
9	A	1415	1356	20.58	5.32	0.73	0.85
10	A	1389	1331	0.60	5.43	0.75	0.85
11	A	1267	1215	9.15	9.63	0.70	0.82
12	A	1233	1182	11.51	7.05	0.75	0.86
13	A	1139	1092	17.99	2.39	0.45	0.62
14	A	1116	1070	76.50	3.52	0.74	0.85
15	A	1061	1017	54.62	2.18	0.68	0.81
16	A	910	872	17.11	6.28	0.32	0.48
17	A	875	838	35.08	3.89	0.46	0.63
18	A	525	503	8.01	1.27	0.74	0.85
19	A	442	423	122.20	2.90	0.75	0.86
20	A	321	308	9.96	0.31	0.61	0.75
21	A	162	155	11.01	0.04	0.20	0.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.691	0.584	0.276
C2	-0.716	0.572	-0.276
O3	1.430	-0.530	-0.186
F4	-1.336	-0.609	0.159
H5	1.214	1.490	-0.067
H6	0.644	0.618	1.382
H7	-1.310	1.428	0.083
H8	-0.706	0.555	-1.376
H9	0.896	-1.306	0.037

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5116	1.4140	2.3546	1.1007	1.1074	2.1798	2.1639	1.9157
C2	1.5116		2.4141	1.4020	2.1477	2.1449	1.1016	1.1009	2.4945
O3	1.4140	2.4141		2.7884	2.0343	2.0956	3.3777	2.6750	0.9684
F4	2.3546	1.4020	2.7884		3.3100	2.6307	2.0379	2.0266	2.3413
H5	1.1007	2.1477	2.0343	3.3100		1.7845	2.5288	2.5049	2.8155
H6	1.1074	2.1449	2.0956	2.6307	1.7845		2.4819	3.0716	2.3603
H7	2.1798	1.1016	3.3777	2.0379	2.5288	2.4819		1.8045	3.5126
H8	2.1639	1.1009	2.6750	2.0266	2.5049	3.0716	1.8045		2.8332
H9	1.9157	2.4945	0.9684	2.3413	2.8155	2.3603	3.5126	2.8332

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	107.767	C1	C2	H7	112.102
C1	C2	H8	110.866	C1	O3	H9	105.523
C2	C1	O3	111.166	C2	C1	H5	109.594
C2	C1	H6	108.984	O3	C1	H5	107.331
O3	C1	H6	111.859

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

using model chemistry: B2PLYP=FULL/cc-pVDZ

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: B2PLYP=FULL/cc-pVDZ

States and conformations

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