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	hartrees
Energy at 0K	-254.236646
Energy at 298.15K
HF Energy	-254.236646
Nuclear repulsion energy	131.897652

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	3830	3672	23.29	52.41	0.27	0.42
2	A	3145	3014	46.58	55.51	0.74	0.85
3	A	3127	2997	34.88	90.39	0.34	0.51
4	A	3081	2953	32.26	112.16	0.14	0.25
5	A	3025	2900	54.54	124.63	0.20	0.34
6	A	1516	1453	3.94	3.74	0.75	0.85
7	A	1509	1446	3.67	10.82	0.75	0.86
8	A	1454	1394	42.80	4.96	0.51	0.68
9	A	1425	1366	22.11	5.51	0.73	0.84
10	A	1400	1342	0.96	7.13	0.74	0.85
11	A	1284	1231	9.06	9.70	0.71	0.83
12	A	1241	1190	19.35	5.84	0.75	0.86
13	A	1152	1104	28.61	2.86	0.53	0.69
14	A	1120	1074	80.74	2.50	0.75	0.86
15	A	1074	1030	65.74	2.16	0.70	0.82
16	A	913	875	14.62	5.76	0.35	0.52
17	A	880	843	36.75	3.65	0.50	0.67
18	A	522	500	12.76	1.06	0.74	0.85
19	A	446	427	147.74	2.78	0.75	0.85
20	A	320	307	14.01	0.35	0.63	0.77
21	A	163	156	12.31	0.04	0.27	0.43

Atom	x (Å)	y (Å)	z (Å)
C1	0.685	0.582	0.276
C2	-0.713	0.568	-0.276
O3	1.420	-0.522	-0.186
F4	-1.327	-0.605	0.159
H5	1.208	1.479	-0.056
H6	0.639	0.602	1.372
H7	-1.309	1.412	0.076
H8	-0.702	0.542	-1.366
H9	0.915	-1.308	0.036

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5027	1.4047	2.3385	1.0905	1.0973	2.1687	2.1493	1.9186
C2	1.5027		2.3972	1.3932	2.1378	2.1316	1.0914	1.0906	2.5031
O3	1.4047	2.3972		2.7702	2.0163	2.0746	3.3552	2.6507	0.9606
F4	2.3385	1.3932	2.7702		3.2888	2.6062	2.0183	2.0078	2.3528
H5	1.0905	2.1378	2.0163	3.2888		1.7699	2.5217	2.4986	2.8037
H6	1.0973	2.1316	2.0746	2.6062	1.7699		2.4756	3.0492	2.3470
H7	2.1687	1.0914	3.3552	2.0183	2.5217	2.4756		1.7902	3.5133
H8	2.1493	1.0906	2.6507	2.0078	2.4986	3.0492	1.7902		2.8287
H9	1.9186	2.5031	0.9606	2.3528	2.8037	2.3470	3.5133	2.8287

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	107.651	C1	C2	H7	112.479
C1	C2	H8	110.954	C1	O3	H9	106.912
C2	C1	O3	111.036	C2	C1	H5	110.036
C2	C1	H6	109.142	O3	C1	H5	107.139
O3	C1	H6	111.431

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

using model chemistry: B1B95/6-311G*

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	-0.249
2	C	-0.144
3	O	-0.554
4	F	-0.285
5	H	0.218
6	H	0.205
7	H	0.202
8	H	0.211
9	H	0.396

	x	y	z	Total
	-0.656	1.340	0.261	1.515
CHELPG
AIM
ESP

	x	y	z
x	4.061	-0.088	0.035
y	-0.088	4.223	0.041
z	0.035	0.041	3.781

<r²>	79.157
(<r²>)^1/2	8.897

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

using model chemistry: B1B95/6-311G*

States and conformations

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