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	hartrees
Energy at 0K	-252.792559
Energy at 298.15K
HF Energy	-252.792559
Nuclear repulsion energy	129.245222

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	3257	3239	2.96	51.02	0.21	0.35
2	A	3038	3021	38.78	78.16	0.35	0.51
3	A	3028	3011	41.93	71.56	0.59	0.74
4	A	2977	2961	35.44	99.34	0.16	0.28
5	A	2905	2889	60.67	110.32	0.27	0.42
6	A	1525	1517	2.08	5.89	0.72	0.84
7	A	1522	1514	0.89	19.94	0.74	0.85
8	A	1417	1409	53.94	11.67	0.64	0.78
9	A	1389	1381	12.23	9.46	0.75	0.86
10	A	1373	1365	1.33	12.24	0.75	0.86
11	A	1226	1219	10.68	13.89	0.74	0.85
12	A	1205	1198	12.03	14.68	0.75	0.86
13	A	1099	1093	3.84	3.57	0.58	0.73
14	A	990	985	29.37	4.36	0.59	0.74
15	A	976	970	41.76	1.26	0.66	0.80
16	A	860	855	13.19	4.82	0.48	0.65
17	A	840	835	24.95	7.66	0.30	0.46
18	A	555	552	117.02	7.09	0.75	0.86
19	A	494	491	33.29	1.32	0.74	0.85
20	A	298	296	2.10	0.26	0.68	0.81
21	A	181	180	12.67	0.14	0.54	0.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.714	0.637	0.267
C2	-0.725	0.627	-0.269
O3	1.382	-0.597	-0.181
F4	-1.286	-0.647	0.163
H5	1.278	1.485	-0.146
H6	0.685	0.728	1.373
H7	-1.333	1.453	0.134
H8	-0.722	0.653	-1.371
H9	0.675	-1.300	0.007

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5364	1.4728	2.3789	1.0997	1.1094	2.2085	2.1784	1.9539
C2	1.5364		2.4388	1.4578	2.1833	2.1665	1.1022	1.1016	2.3978
O3	1.4728	2.4388		2.6903	2.0850	2.1582	3.4171	2.7211	1.0144
F4	2.3789	1.4578	2.6903		3.3494	2.6906	2.1016	2.0883	2.0721
H5	1.0997	2.1833	2.0850	3.3494		1.7974	2.6269	2.4887	2.8534
H6	1.1094	2.1665	2.1582	2.6906	1.7974		2.4763	3.0836	2.4450
H7	2.2085	1.1022	3.4171	2.1016	2.6269	2.4763		1.8103	3.4100
H8	2.1784	1.1016	2.7211	2.0883	2.4887	3.0836	1.8103		2.7681
H9	1.9539	2.3978	1.0144	2.0721	2.8534	2.4450	3.4100	2.7681

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	105.189	C1	C2	H7	112.616
C1	C2	H8	110.249	C1	O3	H9	101.973
C2	C1	O3	108.263	C2	C1	H5	110.748
C2	C1	H6	108.872	O3	C1	H5	107.409
O3	C1	H6	112.646

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

using model chemistry: BLYP/3-21G

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	-0.169
2	C	-0.113
3	O	-0.503
4	F	-0.260
5	H	0.192
6	H	0.171
7	H	0.176
8	H	0.193
9	H	0.312

	x	y	z	Total
	-1.057	1.580	0.125	1.905
CHELPG
AIM
ESP

	x	y	z
x	3.843	-0.106	-0.055
y	-0.106	4.166	0.070
z	-0.055	0.070	3.327

<r²>	79.948
(<r²>)^1/2	8.941

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

using model chemistry: BLYP/3-21G

States and conformations

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