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	hartrees
Energy at 0K	-53.347193
Energy at 298.15K
HF Energy	-53.347193
Nuclear repulsion energy	75.469042

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	4074	3672	41.94	67.93	0.30	0.46
2	A	3388	3054	60.54	52.76	0.75	0.85
3	A	3344	3015	62.49	88.68	0.38	0.56
4	A	3305	2979	38.86	145.37	0.13	0.23
5	A	3262	2940	66.47	118.08	0.14	0.25
6	A	1639	1478	2.46	3.83	0.64	0.78
7	A	1634	1473	5.88	16.02	0.75	0.86
8	A	1551	1398	22.79	1.82	0.72	0.83
9	A	1524	1374	13.36	0.87	0.66	0.80
10	A	1465	1321	15.41	18.19	0.75	0.86
11	A	1343	1211	18.55	12.81	0.66	0.80
12	A	1293	1165	18.24	8.40	0.70	0.82
13	A	1202	1084	3.54	6.46	0.28	0.44
14	A	1187	1070	100.33	10.91	0.71	0.83
15	A	1089	982	83.46	3.86	0.73	0.85
16	A	965	870	19.91	12.49	0.31	0.47
17	A	910	820	70.55	9.67	0.22	0.36
18	A	539	486	16.78	2.11	0.75	0.86
19	A	395	356	225.90	4.98	0.74	0.85
20	A	331	299	36.72	0.71	0.50	0.67
21	A	148	133	18.74	0.15	0.72	0.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.679	0.582	0.307
C2	-0.721	0.573	-0.301
O3	1.480	-0.500	-0.201
F4	-1.392	-0.613	0.162
H5	1.197	1.492	0.023
H6	0.613	0.537	1.393
H7	-1.321	1.415	0.027
H8	-0.695	0.506	-1.382
H9	1.143	-1.361	0.047

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5256	1.4387	2.3952	1.0852	1.0887	2.1840	2.1782	2.0144
C2	1.5256		2.4500	1.4396	2.1509	2.1563	1.0848	1.0830	2.7079
O3	1.4387	2.4500		2.8969	2.0241	2.0894	3.4002	2.6716	0.9572
F4	2.3952	1.4396	2.8969		3.3398	2.6189	2.0342	2.0306	2.6453
H5	1.0852	2.1509	2.0241	3.3398		1.7691	2.5188	2.5541	2.8534
H6	1.0887	2.1563	2.0894	2.6189	1.7691		2.5253	3.0677	2.3863
H7	2.1840	1.0848	3.4002	2.0342	2.5188	2.5253		1.7890	3.7115
H8	2.1782	1.0830	2.6716	2.0306	2.5541	3.0677	1.7890		2.9843
H9	2.0144	2.7079	0.9572	2.6453	2.8534	2.3863	3.7115	2.9843

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	107.720	C1	C2	H7	112.478
C1	C2	H8	112.116	C1	O3	H9	112.894
C2	C1	O3	111.445	C2	C1	H5	109.794
C2	C1	H6	110.010	O3	C1	H5	105.789
O3	C1	H6	110.758

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

using model chemistry: HF/CEP-31G

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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Number	Element	Mulliken
1	C	-0.005
2	C	0.035
3	O	-0.573
4	F	-0.386
5	H	0.140
6	H	0.124
7	H	0.135
8	H	0.151
9	H	0.379

	x	y	z	Total
	-0.533	2.129	0.437	2.238
CHELPG
AIM
ESP

	x	y	z
x	3.364	-0.003	-0.096
y	-0.003	3.756	-0.029
z	-0.096	-0.029	3.009

<r²>	70.099
(<r²>)^1/2	8.372

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

using model chemistry: HF/CEP-31G

States and conformations

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