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	hartrees
Energy at 0K	-252.600102
Energy at 298.15K
HF Energy	-252.600102
Nuclear repulsion energy	130.952189

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	3518	3379	9.88	53.18	0.24	0.39
2	A	3156	3031	35.62	55.95	0.53	0.69
3	A	3149	3024	22.22	78.73	0.44	0.61
4	A	3092	2970	24.82	90.98	0.16	0.28
5	A	3033	2912	43.88	104.77	0.24	0.39
6	A	1564	1502	3.02	6.59	0.73	0.84
7	A	1559	1497	2.46	17.43	0.74	0.85
8	A	1446	1389	27.23	6.56	0.66	0.80
9	A	1437	1380	28.77	7.94	0.73	0.84
10	A	1419	1363	5.25	12.98	0.75	0.86
11	A	1276	1226	10.46	12.68	0.72	0.84
12	A	1253	1204	15.96	11.99	0.75	0.86
13	A	1140	1095	1.53	2.96	0.52	0.68
14	A	1082	1039	48.95	5.67	0.68	0.81
15	A	1042	1001	44.81	0.87	0.58	0.73
16	A	913	877	12.24	7.04	0.36	0.53
17	A	891	855	27.25	5.48	0.35	0.52
18	A	538	517	113.11	6.03	0.75	0.86
19	A	509	489	67.95	1.18	0.74	0.85
20	A	308	296	1.91	0.20	0.63	0.77
21	A	176	169	15.70	0.11	0.59	0.74

Atom	x (Å)	y (Å)	z (Å)
C1	0.700	0.623	0.270
C2	-0.715	0.609	-0.272
O3	1.371	-0.578	-0.182
F4	-1.277	-0.633	0.164
H5	1.256	1.478	-0.118
H6	0.663	0.691	1.368
H7	-1.319	1.440	0.106
H8	-0.697	0.617	-1.366
H9	0.714	-1.301	0.005

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5159	1.4473	2.3449	1.0921	1.1006	2.1844	2.1517	1.9420
C2	1.5159		2.4018	1.4315	2.1599	2.1438	1.0938	1.0939	2.4022
O3	1.4473	2.4018		2.6709	2.0602	2.1247	3.3744	2.6654	0.9947
F4	2.3449	1.4315	2.6709		3.3100	2.6399	2.0742	2.0583	2.1064
H5	1.0921	2.1599	2.0602	3.3100		1.7837	2.5849	2.4726	2.8346
H6	1.1006	2.1438	2.1247	2.6399	1.7837		2.4661	3.0544	2.4147
H7	2.1844	1.0938	3.3744	2.0742	2.5849	2.4661		1.7966	3.4142
H8	2.1517	1.0939	2.6654	2.0583	2.4726	3.0544	1.7966		2.7478
H9	1.9420	2.4022	0.9947	2.1064	2.8346	2.4147	3.4142	2.7478

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	105.384	C1	C2	H7	112.653
C1	C2	H8	110.019	C1	O3	H9	103.810
C2	C1	O3	108.271	C2	C1	H5	110.780
C2	C1	H6	109.007	O3	C1	H5	107.625
O3	C1	H6	112.288

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

using model chemistry: PBE1PBE/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	-0.224
2	C	-0.152
3	O	-0.568
4	F	-0.305
5	H	0.235
6	H	0.214
7	H	0.215
8	H	0.233
9	H	0.354

	x	y	z	Total
	-1.050	1.700	0.161	2.005
CHELPG
AIM
ESP

	x	y	z
x	3.545	-0.057	-0.056
y	-0.057	3.917	0.057
z	-0.056	0.057	3.212

<r²>	78.396
(<r²>)^1/2	8.854

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

using model chemistry: PBE1PBE/3-21G

States and conformations

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