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	hartrees
Energy at 0K	-254.168367
Energy at 298.15K
HF Energy	-254.168367
Nuclear repulsion energy	131.268699

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3772	3609	27.12
2	A	3125	2990	49.81
3	A	3115	2980	31.67
4	A	3065	2932	32.90
5	A	3012	2881	52.26
6	A	1531	1464	2.43
7	A	1521	1455	2.06
8	A	1454	1391	41.07
9	A	1428	1366	26.82
10	A	1403	1342	2.58
11	A	1278	1223	8.40
12	A	1240	1186	16.41
13	A	1154	1104	22.19
14	A	1117	1069	78.13
15	A	1081	1034	63.45
16	A	913	873	11.85
17	A	882	843	30.12
18	A	523	500	9.85
19	A	436	417	135.52
20	A	319	306	13.14
21	A	156	149	12.19

Atom	x (Å)	y (Å)	z (Å)
C1	0.689	0.582	0.275
C2	-0.720	0.567	-0.274
O3	1.432	-0.524	-0.186
F4	-1.336	-0.607	0.158
H5	1.210	1.485	-0.064
H6	0.646	0.613	1.376
H7	-1.307	1.422	0.082
H8	-0.710	0.557	-1.370
H9	0.908	-1.309	0.035

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5122	1.4103	2.3514	1.0956	1.1027	2.1744	2.1598	1.9186
C2	1.5122		2.4143	1.3945	2.1469	2.1430	1.0970	1.0961	2.5021
O3	1.4103	2.4143		2.7907	2.0249	2.0859	3.3710	2.6760	0.9690
F4	2.3514	1.3945	2.7907		3.3022	2.6270	2.0305	2.0208	2.3540
H5	1.0956	2.1469	2.0249	3.3022		1.7754	2.5219	2.5002	2.8113
H6	1.1027	2.1430	2.0859	2.6270	1.7754		2.4792	3.0637	2.3581
H7	2.1744	1.0970	3.3710	2.0305	2.5219	2.4792		1.7927	3.5162
H8	2.1598	1.0961	2.6760	2.0208	2.5002	3.0637	1.7927		2.8410
H9	1.9186	2.5021	0.9690	2.3540	2.8113	2.3581	3.5162	2.8410

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	107.921	C1	C2	H7	111.906
C1	C2	H8	110.790	C1	O3	H9	105.995
C2	C1	O3	111.357	C2	C1	H5	109.798
C2	C1	H6	109.080	O3	C1	H5	107.152
O3	C1	H6	111.630

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

using model chemistry: B3PW91/6-31G*

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	-0.107
2	C	-0.018
3	O	-0.621
4	F	-0.321
5	H	0.174
6	H	0.158
7	H	0.155
8	H	0.169
9	H	0.411

	x	y	z	Total
	-0.714	1.213	0.247	1.429
CHELPG
AIM
ESP

	x	y	z
x	3.944	-0.099	-0.019
y	-0.099	4.159	0.041
z	-0.019	0.041	3.667

<r²>	79.665
(<r²>)^1/2	8.926

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

using model chemistry: B3PW91/6-31G*

States and conformations

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