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	hartrees
Energy at 0K	-254.059627
Energy at 298.15K
HF Energy	-254.059627
Nuclear repulsion energy	130.267881

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	3697	3663	26.17	55.85	0.23	0.37
2	A	3028	3001	42.18	62.05	0.74	0.85
3	A	3013	2985	30.43	99.49	0.32	0.48
4	A	2967	2940	32.52	127.33	0.13	0.24
5	A	2909	2883	53.36	141.91	0.20	0.33
6	A	1440	1427	2.15	1.67	0.75	0.86
7	A	1437	1424	6.82	13.64	0.74	0.85
8	A	1391	1378	44.83	6.95	0.62	0.77
9	A	1363	1350	8.85	6.47	0.69	0.82
10	A	1339	1327	0.48	4.84	0.73	0.84
11	A	1223	1212	8.92	9.85	0.72	0.83
12	A	1192	1181	13.11	6.85	0.75	0.86
13	A	1094	1084	5.86	1.89	0.51	0.67
14	A	1061	1051	89.04	2.80	0.75	0.86
15	A	1011	1001	54.88	2.17	0.64	0.78
16	A	873	865	17.59	5.25	0.40	0.57
17	A	840	832	34.79	4.02	0.47	0.64
18	A	505	500	7.15	1.34	0.74	0.85
19	A	443	439	124.23	2.76	0.75	0.86
20	A	316	313	8.37	0.36	0.63	0.77
21	A	156	154	11.01	0.04	0.32	0.49

Atom	x (Å)	y (Å)	z (Å)
C1	0.690	0.582	0.282
C2	-0.715	0.573	-0.283
O3	1.447	-0.528	-0.186
F4	-1.354	-0.608	0.160
H5	1.215	1.493	-0.049
H6	0.635	0.605	1.390
H7	-1.308	1.435	0.066
H8	-0.695	0.541	-1.384
H9	0.911	-1.312	0.025

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5140	1.4229	2.3688	1.1020	1.1093	2.1835	2.1672	1.9239
C2	1.5140		2.4281	1.4145	2.1504	2.1488	1.1031	1.1022	2.5079
O3	1.4229	2.4281		2.8239	2.0392	2.1034	3.3927	2.6776	0.9728
F4	2.3688	1.4145	2.8239		3.3257	2.6339	2.0461	2.0347	2.3756
H5	1.1020	2.1504	2.0392	3.3257		1.7875	2.5264	2.5177	2.8223
H6	1.1093	2.1488	2.1034	2.6339	1.7875		2.4933	3.0766	2.3683
H7	2.1835	1.1031	3.3927	2.0461	2.5264	2.4933		1.8105	3.5314
H8	2.1672	1.1022	2.6776	2.0347	2.5177	3.0766	1.8105		2.8282
H9	1.9239	2.5079	0.9728	2.3756	2.8223	2.3683	3.5314	2.8282

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	107.930	C1	C2	H7	112.136
C1	C2	H8	110.886	C1	O3	H9	105.302
C2	C1	O3	111.501	C2	C1	H5	109.570
C2	C1	H6	109.023	O3	C1	H5	107.043
O3	C1	H6	111.740

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

using model chemistry: PBEPBE/6-311G**

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	-0.087
2	C	0.016
3	O	-0.360
4	F	-0.263
5	H	0.120
6	H	0.115
7	H	0.108
8	H	0.117
9	H	0.234

	x	y	z	Total
	-0.555	1.263	0.194	1.393
CHELPG
AIM
ESP

	x	y	z
x	4.505	-0.128	0.071
y	-0.128	4.566	0.051
z	0.071	0.051	4.085

<r²>	80.969
(<r²>)^1/2	8.998

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

using model chemistry: PBEPBE/6-311G**

States and conformations

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