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	hartrees
Energy at 0K	-254.147490
Energy at 298.15K
HF Energy	-253.896999
Nuclear repulsion energy	131.081566

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	3853	3853	37.03	49.42	0.24	0.39
2	A	3143	3143	39.57	53.63	0.74	0.85
3	A	3118	3118	32.73	87.00	0.34	0.50
4	A	3078	3078	27.56	113.53	0.14	0.25
5	A	3028	3028	47.65	122.27	0.18	0.31
6	A	1515	1515	1.95	2.27	0.74	0.85
7	A	1512	1512	5.02	11.59	0.75	0.86
8	A	1456	1456	37.19	4.14	0.44	0.61
9	A	1429	1429	19.93	4.37	0.72	0.84
10	A	1405	1405	1.07	6.54	0.74	0.85
11	A	1284	1284	8.54	8.91	0.70	0.83
12	A	1242	1242	17.13	5.69	0.75	0.86
13	A	1145	1145	3.34	1.79	0.37	0.54
14	A	1113	1113	89.94	3.78	0.74	0.85
15	A	1061	1061	55.64	2.30	0.70	0.82
16	A	909	909	18.03	5.26	0.35	0.52
17	A	877	877	38.60	4.44	0.37	0.54
18	A	526	526	9.46	1.18	0.74	0.85
19	A	449	449	131.62	2.47	0.75	0.85
20	A	326	326	11.25	0.33	0.56	0.72
21	A	164	164	11.30	0.04	0.31	0.47

Atom	x (Å)	y (Å)	z (Å)
C1	0.686	0.580	0.283
C2	-0.714	0.566	-0.282
O3	1.441	-0.521	-0.187
F4	-1.348	-0.604	0.160
H5	1.203	1.485	-0.043
H6	0.630	0.592	1.379
H7	-1.302	1.420	0.061
H8	-0.691	0.532	-1.373
H9	0.932	-1.307	0.034

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5093	1.4157	2.3561	1.0918	1.0975	2.1693	2.1536	1.9191
C2	1.5093		2.4155	1.4022	2.1390	2.1370	1.0921	1.0910	2.5132
O3	1.4157	2.4155		2.8111	2.0251	2.0850	3.3697	2.6573	0.9614
F4	2.3561	1.4022	2.8111		3.3029	2.6132	2.0268	2.0170	2.3887
H5	1.0918	2.1390	2.0251	3.3029		1.7738	2.5083	2.5029	2.8055
H6	1.0975	2.1370	2.0850	2.6132	1.7738		2.4814	3.0529	2.3464
H7	2.1693	1.0921	3.3697	2.0268	2.5083	2.4814		1.7936	3.5251
H8	2.1536	1.0910	2.6573	2.0170	2.5029	3.0529	1.7936		2.8269
H9	1.9191	2.5132	0.9614	2.3887	2.8055	2.3464	3.5251	2.8269

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	107.984	C1	C2	H7	112.004
C1	C2	H8	110.804	C1	O3	H9	106.090
C2	C1	O3	111.307	C2	C1	H5	109.601
C2	C1	H6	109.105	O3	C1	H5	107.022
O3	C1	H6	111.493

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

using model chemistry: B2PLYP=FULLultrafine/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	-0.026
2	C	0.083
3	O	-0.395
4	F	-0.300
5	H	0.104
6	H	0.099
7	H	0.094
8	H	0.102
9	H	0.239

	x	y	z	Total
	-0.570	1.380	0.222	1.510
CHELPG
AIM
ESP

	x	y	z
x	4.147	-0.082	0.031
y	-0.082	4.308	0.032
z	0.031	0.032	3.837

<r²>	80.294
(<r²>)^1/2	8.961

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

using model chemistry: B2PLYP=FULLultrafine/6-311G**

States and conformations

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