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	hartrees
Energy at 0K	-250.597439
Energy at 298.15K
HF Energy	-250.597439
Nuclear repulsion energy	131.517687

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	3575	3157	60.48	24.22	0.15	0.26
2	A	3428	3028	6.52	30.89	0.75	0.86
3	A	3403	3005	6.63	32.85	0.63	0.77
4	A	3315	2927	4.39	36.63	0.15	0.26
5	A	3290	2905	18.90	41.67	0.14	0.24
6	A	1767	1560	82.63	7.33	0.61	0.76
7	A	1695	1497	1.34	14.97	0.74	0.85
8	A	1657	1463	1.37	11.53	0.75	0.86
9	A	1473	1300	2.09	3.64	0.66	0.79
10	A	1439	1271	4.38	3.83	0.74	0.85
11	A	1314	1161	7.71	11.06	0.75	0.86
12	A	1300	1148	4.21	8.90	0.75	0.86
13	A	1214	1072	9.03	2.31	0.46	0.63
14	A	1195	1055	0.23	0.22	0.61	0.76
15	A	1160	1024	15.19	2.17	0.63	0.77
16	A	988	872	2.92	9.20	0.27	0.43
17	A	898	793	1.19	0.85	0.74	0.85
18	A	683	603	62.33	3.25	0.75	0.85
19	A	651	575	8.35	2.48	0.75	0.85
20	A	436	385	14.75	0.25	0.53	0.69
21	A	103	91	1.70	0.07	0.71	0.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.793	0.673	0.101
C2	-0.774	0.667	-0.105
O3	1.266	-0.685	-0.086
F4	-1.172	-0.680	0.078
H5	1.271	1.358	-0.627
H6	1.024	1.057	1.121
H7	-1.295	1.319	0.628
H8	-1.049	0.993	-1.131
H9	0.350	-1.157	0.020

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5803	1.4498	2.3858	1.1085	1.1134	2.2481	2.2391	1.8844
C2	1.5803		2.4467	1.4166	2.2207	2.2102	1.1108	1.1116	2.1462
O3	1.4498	2.4467		2.4430	2.1132	2.1328	3.3288	3.0434	1.0354
F4	2.3858	1.4166	2.4430		3.2587	2.9875	2.0770	2.0682	1.5962
H5	1.1085	2.2207	2.1132	3.2587		1.7908	2.8568	2.4017	2.7554
H6	1.1134	2.2102	2.1328	2.9875	1.7908		2.3847	3.0611	2.5624
H7	2.2481	1.1108	3.3288	2.0770	2.8568	2.3847		1.8064	3.0342
H8	2.2391	1.1116	3.0434	2.0682	2.4017	3.0611	1.8064		2.8117
H9	1.8844	2.1462	1.0354	1.5962	2.7554	2.5624	3.0342	2.8117

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	105.388	C1	C2	H7	112.136
C1	C2	H8	111.380	C1	O3	H9	97.218
C2	C1	O3	107.625	C2	C1	H5	110.124
C2	C1	H6	109.036	O3	C1	H5	110.684
O3	C1	H6	111.958

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

using model chemistry: HSEh1PBE/STO-3G

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	-0.074
2	C	-0.052
3	O	-0.276
4	F	-0.084
5	H	0.076
6	H	0.066
7	H	0.086
8	H	0.085
9	H	0.173

	x	y	z	Total
	-1.652	1.294	0.086	2.100
CHELPG
AIM
ESP

	x	y	z
x	2.241	0.065	-0.022
y	0.065	2.489	0.017
z	-0.022	0.017	1.641

<r²>	75.863
(<r²>)^1/2	8.710

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

using model chemistry: HSEh1PBE/STO-3G

States and conformations

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