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	hartrees
Energy at 0K	-252.925157
Energy at 298.15K
HF Energy	-252.925157
Nuclear repulsion energy	132.284741

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	4099	3683	58.09	51.37	0.30	0.46
2	A	3313	2977	59.95	50.44	0.73	0.84
3	A	3283	2950	53.19	85.74	0.29	0.45
4	A	3255	2924	27.72	100.97	0.21	0.35
5	A	3203	2878	54.74	97.86	0.22	0.37
6	A	1665	1496	1.55	4.78	0.75	0.86
7	A	1654	1486	1.27	13.22	0.75	0.86
8	A	1593	1431	42.13	2.75	0.44	0.61
9	A	1556	1398	35.60	2.01	0.75	0.86
10	A	1515	1361	14.73	10.61	0.75	0.86
11	A	1389	1248	11.18	10.87	0.70	0.83
12	A	1332	1197	24.13	5.86	0.73	0.84
13	A	1249	1122	26.86	4.04	0.42	0.59
14	A	1213	1090	89.03	4.91	0.75	0.86
15	A	1170	1051	78.13	2.09	0.72	0.84
16	A	981	882	14.26	6.30	0.34	0.50
17	A	948	851	42.84	6.02	0.32	0.49
18	A	564	507	14.91	0.93	0.74	0.85
19	A	427	384	145.51	2.36	0.74	0.85
20	A	337	302	28.10	0.43	0.59	0.74
21	A	170	153	12.62	0.04	0.47	0.64

Atom	x (Å)	y (Å)	z (Å)
C1	0.684	0.577	0.276
C2	-0.722	0.556	-0.274
O3	1.426	-0.510	-0.190
F4	-1.331	-0.602	0.157
H5	1.192	1.475	-0.053
H6	0.646	0.590	1.363
H7	-1.306	1.396	0.081
H8	-0.717	0.542	-1.355
H9	0.977	-1.308	0.055

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5093	1.3968	2.3376	1.0827	1.0877	2.1604	2.1500	1.9207
C2	1.5093		2.3997	1.3778	2.1341	2.1334	1.0825	1.0814	2.5436
O3	1.3968	2.3997		2.7807	2.0035	2.0570	3.3424	2.6563	0.9483
F4	2.3376	1.3778	2.7807		3.2746	2.6047	1.9995	1.9931	2.4157
H5	1.0827	2.1341	2.0035	3.2746		1.7568	2.5027	2.4915	2.7934
H6	1.0877	2.1334	2.0570	2.6047	1.7568		2.4708	3.0409	2.3285
H7	2.1604	1.0825	3.3424	1.9995	2.5027	2.4708		1.7714	3.5389
H8	2.1500	1.0814	2.6563	1.9931	2.4915	3.0409	1.7714		2.8774
H9	1.9207	2.5436	0.9483	2.4157	2.7934	2.3285	3.5389	2.8774

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	108.037	C1	C2	H7	111.875
C1	C2	H8	111.096	C1	O3	H9	108.461
C2	C1	O3	111.264	C2	C1	H5	109.742
C2	C1	H6	109.386	O3	C1	H5	107.124
O3	C1	H6	111.162

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

using model chemistry: HF/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	-0.028
2	C	0.082
3	O	-0.737
4	F	-0.420
5	H	0.172
6	H	0.158
7	H	0.155
8	H	0.168
9	H	0.450

	x	y	z	Total
	-0.665	1.450	0.326	1.628
CHELPG
AIM
ESP

	x	y	z
x	3.553	-0.067	-0.036
y	-0.067	3.839	0.019
z	-0.036	0.019	3.452

<r²>	79.171
(<r²>)^1/2	8.898

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

using model chemistry: HF/6-31G*

States and conformations

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