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	hartrees
Energy at 0K	-254.095933
Energy at 298.15K
HF Energy	-253.839211
Nuclear repulsion energy	131.785684

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	3839	3839	33.36	45.26	0.23	0.37
2	A	3135	3135	40.78	44.99	0.71	0.83
3	A	3123	3123	26.88	77.69	0.39	0.56
4	A	3073	3073	28.02	95.41	0.13	0.24
5	A	3030	3030	42.47	98.52	0.19	0.33
6	A	1524	1524	2.52	4.21	0.73	0.84
7	A	1517	1517	2.01	10.58	0.74	0.85
8	A	1453	1453	34.91	4.04	0.56	0.72
9	A	1429	1429	25.31	3.64	0.73	0.85
10	A	1402	1402	2.17	7.01	0.75	0.86
11	A	1286	1286	7.26	8.75	0.71	0.83
12	A	1243	1243	16.37	5.81	0.75	0.86
13	A	1153	1153	11.06	2.20	0.21	0.35
14	A	1118	1118	80.63	3.67	0.74	0.85
15	A	1078	1078	55.83	1.44	0.58	0.74
16	A	912	912	13.89	6.21	0.30	0.46
17	A	883	883	27.68	4.23	0.39	0.56
18	A	527	527	7.97	0.90	0.73	0.85
19	A	427	427	114.79	2.09	0.75	0.85
20	A	321	321	9.14	0.22	0.51	0.67
21	A	168	168	10.29	0.03	0.38	0.55

Atom	x (Å)	y (Å)	z (Å)
C1	0.689	0.590	0.270
C2	-0.722	0.567	-0.271
O3	1.419	-0.530	-0.183
F4	-1.318	-0.610	0.159
H5	1.207	1.483	-0.085
H6	0.652	0.632	1.367
H7	-1.312	1.412	0.093
H8	-0.718	0.562	-1.364
H9	0.882	-1.299	0.030

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5117	1.4112	2.3406	1.0922	1.0982	2.1710	2.1560	1.9133
C2	1.5117		2.4074	1.3870	2.1442	2.1391	1.0934	1.0927	2.4787
O3	1.4112	2.4074		2.7593	2.0267	2.0832	3.3627	2.6742	0.9620
F4	2.3406	1.3870	2.7593		3.2888	2.6231	2.0234	2.0133	2.3085
H5	1.0922	2.1442	2.0267	3.2888		1.7720	2.5265	2.4876	2.8034
H6	1.0982	2.1391	2.0832	2.6231	1.7720		2.4680	3.0555	2.3592
H7	2.1710	1.0934	3.3627	2.0234	2.5265	2.4680		1.7882	3.4882
H8	2.1560	1.0927	2.6742	2.0133	2.4876	3.0555	1.7882		2.8222
H9	1.9133	2.4787	0.9620	2.3085	2.8034	2.3592	3.4882	2.8222

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	107.622	C1	C2	H7	111.889
C1	C2	H8	110.722	C1	O3	H9	105.900
C2	C1	O3	110.851	C2	C1	H5	109.820
C2	C1	H6	109.064	O3	C1	H5	107.425
O3	C1	H6	111.621

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

using model chemistry: B2PLYP=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: B2PLYP=FULL/6-31G(2df,p)

States and conformations

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