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	hartrees
Energy at 0K	-254.119914
Energy at 298.15K
HF Energy	-254.119914
Nuclear repulsion energy	130.227939

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	3650	3578	16.16	58.64	0.24	0.39
2	A	3049	2989	59.91	59.02	0.48	0.65
3	A	3042	2983	41.67	91.48	0.48	0.65
4	A	2988	2929	43.60	114.36	0.14	0.25
5	A	2934	2877	62.47	117.12	0.23	0.37
6	A	1502	1473	2.30	6.41	0.72	0.84
7	A	1494	1464	1.61	14.05	0.73	0.84
8	A	1425	1397	47.88	7.89	0.67	0.80
9	A	1403	1376	22.72	6.44	0.75	0.85
10	A	1378	1351	0.59	9.83	0.75	0.85
11	A	1250	1225	8.23	12.25	0.73	0.84
12	A	1215	1192	16.61	8.09	0.75	0.86
13	A	1121	1099	2.70	1.96	0.35	0.52
14	A	1069	1048	92.46	3.81	0.73	0.84
15	A	1035	1014	54.99	1.83	0.56	0.72
16	A	886	868	15.11	5.51	0.44	0.61
17	A	853	837	32.17	5.63	0.39	0.56
18	A	513	503	8.13	1.26	0.74	0.85
19	A	437	428	128.40	3.45	0.74	0.85
20	A	317	311	11.00	0.30	0.62	0.77
21	A	159	156	10.92	0.02	0.44	0.61

Atom	x (Å)	y (Å)	z (Å)
C1	0.692	0.583	0.280
C2	-0.721	0.570	-0.280
O3	1.451	-0.526	-0.186
F4	-1.355	-0.609	0.159
H5	1.215	1.491	-0.056
H6	0.642	0.609	1.387
H7	-1.308	1.433	0.073
H8	-0.705	0.554	-1.380
H9	0.917	-1.313	0.030

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5206	1.4228	2.3717	1.0999	1.1076	2.1837	2.1706	1.9251
C2	1.5206		2.4350	1.4078	2.1558	2.1533	1.1022	1.1008	2.5141
O3	1.4228	2.4350		2.8281	2.0352	2.1017	3.3944	2.6910	0.9748
F4	2.3717	1.4078	2.8281		3.3251	2.6412	2.0446	2.0354	2.3813
H5	1.0999	2.1558	2.0352	3.3251		1.7849	2.5269	2.5137	2.8204
H6	1.1076	2.1533	2.1017	2.6412	1.7849		2.4921	3.0778	2.3679
H7	2.1837	1.1022	3.3944	2.0446	2.5269	2.4921		1.8022	3.5344
H8	2.1706	1.1008	2.6910	2.0354	2.5137	3.0778	1.8022		2.8463
H9	1.9251	2.5141	0.9748	2.3813	2.8204	2.3679	3.5344	2.8463

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	108.111	C1	C2	H7	111.739
C1	C2	H8	110.770	C1	O3	H9	105.288
C2	C1	O3	111.597	C2	C1	H5	109.657
C2	C1	H6	109.014	O3	C1	H5	106.861
O3	C1	H6	111.709

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

using model chemistry: B97D3/6-31G*

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	-0.073
2	C	0.009
3	O	-0.596
4	F	-0.310
5	H	0.154
6	H	0.139
7	H	0.136
8	H	0.150
9	H	0.392

	x	y	z	Total
	-0.673	1.156	0.222	1.356
CHELPG
AIM
ESP

	x	y	z
x	4.126	-0.122	-0.018
y	-0.122	4.305	0.046
z	-0.018	0.046	3.758

<r²>	80.848
(<r²>)^1/2	8.992

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

using model chemistry: B97D3/6-31G*

States and conformations

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