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	hartrees
Energy at 0K	-253.946491
Energy at 298.15K
HF Energy	-253.946491
Nuclear repulsion energy	129.910466

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	3681	3521	17.21	64.25	0.27	0.42
2	A	3182	3044	33.19	53.13	0.74	0.85
3	A	3161	3023	20.65	87.88	0.37	0.54
4	A	3109	2974	22.02	109.81	0.14	0.25
5	A	3057	2925	40.37	114.38	0.19	0.32
6	A	1544	1477	4.48	12.07	0.74	0.85
7	A	1541	1474	2.52	11.08	0.71	0.83
8	A	1439	1377	21.28	5.71	0.68	0.81
9	A	1430	1368	4.91	3.31	0.75	0.86
10	A	1400	1339	15.67	16.32	0.75	0.86
11	A	1264	1210	15.85	10.58	0.70	0.83
12	A	1237	1183	11.31	10.99	0.75	0.86
13	A	1139	1090	1.03	2.92	0.48	0.65
14	A	1101	1054	68.52	5.87	0.71	0.83
15	A	1031	986	50.46	1.73	0.61	0.76
16	A	913	874	22.58	8.17	0.32	0.49
17	A	875	837	38.92	5.10	0.38	0.55
18	A	517	495	13.54	1.73	0.75	0.86
19	A	448	429	193.34	5.27	0.74	0.85
20	A	318	305	10.76	0.28	0.62	0.76
21	A	153	146	16.47	0.05	0.59	0.75

Atom	x (Å)	y (Å)	z (Å)
C1	0.683	0.597	0.288
C2	-0.708	0.595	-0.286
O3	1.431	-0.536	-0.189
F4	-1.342	-0.623	0.161
H5	1.230	1.485	-0.037
H6	0.629	0.607	1.385
H7	-1.313	1.435	0.065
H8	-0.689	0.565	-1.377
H9	0.926	-1.346	0.016

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5052	1.4389	2.3678	1.0919	1.0986	2.1761	2.1580	1.9774
C2	1.5052		2.4215	1.4438	2.1473	2.1407	1.0928	1.0922	2.5555
O3	1.4389	2.4215		2.7958	2.0363	2.1037	3.3876	2.6676	0.9762
F4	2.3678	1.4438	2.7958		3.3313	2.6266	2.0609	2.0502	2.3847
H5	1.0919	2.1473	2.0363	3.3313		1.7763	2.5453	2.5148	2.8476
H6	1.0986	2.1407	2.1037	2.6266	1.7763		2.4905	3.0614	2.4033
H7	2.1761	1.0928	3.3876	2.0609	2.5453	2.4905		1.7964	3.5708
H8	2.1580	1.0922	2.6676	2.0502	2.5148	3.0614	1.7964		2.8638
H9	1.9774	2.5555	0.9762	2.3847	2.8476	2.4033	3.5708	2.8638

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	106.801	C1	C2	H7	112.816
C1	C2	H8	111.377	C1	O3	H9	108.391
C2	C1	O3	110.652	C2	C1	H5	110.534
C2	C1	H6	109.613	O3	C1	H5	106.327
O3	C1	H6	111.288

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

using model chemistry: HSEh1PBE/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	-0.105
2	C	-0.019
3	O	-0.619
4	F	-0.362
5	H	0.189
6	H	0.175
7	H	0.170
8	H	0.188
9	H	0.382

	x	y	z	Total
	-0.789	1.731	0.283	1.923
CHELPG
AIM
ESP

	x	y	z
x	3.723	-0.064	-0.095
y	-0.064	4.125	0.027
z	-0.095	0.027	3.383

<r²>	80.830
(<r²>)^1/2	8.991

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

using model chemistry: HSEh1PBE/6-31G

States and conformations

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