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	hartrees
Energy at 0K	-253.722785
Energy at 298.15K
HF Energy	-252.950655
Nuclear repulsion energy	131.993772

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	3864	3649	42.84	39.61	0.22	0.36
2	A	3185	3008	31.24	40.33	0.72	0.84
3	A	3171	2995	18.72	69.12	0.47	0.64
4	A	3112	2939	24.26	90.22	0.12	0.22
5	A	3078	2907	34.06	91.84	0.17	0.29
6	A	1536	1450	2.49	4.16	0.73	0.84
7	A	1527	1442	2.27	9.78	0.74	0.85
8	A	1460	1379	29.12	3.30	0.52	0.69
9	A	1434	1354	26.89	3.66	0.73	0.84
10	A	1407	1329	1.92	6.45	0.75	0.86
11	A	1295	1223	6.66	8.22	0.71	0.83
12	A	1249	1180	14.92	5.48	0.75	0.86
13	A	1160	1096	18.95	2.54	0.20	0.33
14	A	1134	1071	67.85	3.64	0.74	0.85
15	A	1091	1031	58.16	1.39	0.59	0.74
16	A	920	869	14.08	6.41	0.27	0.43
17	A	890	841	25.32	3.54	0.41	0.58
18	A	526	497	7.57	0.84	0.74	0.85
19	A	429	406	119.59	1.82	0.75	0.85
20	A	324	306	8.93	0.19	0.47	0.64
21	A	175	165	10.38	0.03	0.39	0.56

Atom	x (Å)	y (Å)	z (Å)
C1	0.687	0.591	0.273
C2	-0.721	0.567	-0.273
O3	1.412	-0.531	-0.185
F4	-1.311	-0.610	0.160
H5	1.210	1.482	-0.079
H6	0.646	0.627	1.368
H7	-1.314	1.412	0.086
H8	-0.709	0.558	-1.365
H9	0.868	-1.293	0.035

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5101	1.4120	2.3339	1.0916	1.0972	2.1712	2.1524	1.9071
C2	1.5101		2.4009	1.3862	2.1450	2.1368	1.0929	1.0921	2.4656
O3	1.4120	2.4009		2.7465	2.0263	2.0837	3.3589	2.6609	0.9622
F4	2.3339	1.3862	2.7465		3.2845	2.6118	2.0228	2.0130	2.2870
H5	1.0916	2.1450	2.0263	3.2845		1.7731	2.5301	2.4879	2.7986
H6	1.0972	2.1368	2.0837	2.6118	1.7731		2.4702	3.0518	2.3479
H7	2.1712	1.0929	3.3589	2.0228	2.5301	2.4702		1.7890	3.4754
H8	2.1524	1.0921	2.6609	2.0130	2.4879	3.0518	1.7890		2.8064
H9	1.9071	2.4656	0.9622	2.2870	2.7986	2.3479	3.4754	2.8064

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	107.306	C1	C2	H7	112.053
C1	C2	H8	110.587	C1	O3	H9	105.310
C2	C1	O3	110.453	C2	C1	H5	110.026
C2	C1	H6	109.056	O3	C1	H5	107.380
O3	C1	H6	111.677

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

using model chemistry: MP2/6-31G(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: MP2/6-31G(2df,p)

States and conformations

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