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	hartrees
Energy at 0K	-253.890385
Energy at 298.15K
HF Energy	-253.032674
Nuclear repulsion energy	131.371670

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3901	3642	42.08
2	A	3151	2942	32.83
3	A	3131	2923	27.07
4	A	3089	2884	23.82
5	A	3054	2851	36.45
6	A	1529	1428	2.99
7	A	1521	1420	3.03
8	A	1469	1372	28.17
9	A	1438	1342	24.31
10	A	1416	1322	3.46
11	A	1302	1216	8.38
12	A	1252	1169	13.74
13	A	1166	1089	52.92
14	A	1145	1069	38.82
15	A	1101	1028	70.71
16	A	920	859	13.14
17	A	891	831	30.41
18	A	528	493	10.53
19	A	390	364	101.83
20	A	317	296	28.18
21	A	156	146	11.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.680	0.575	0.282
C2	-0.719	0.552	-0.280
O3	1.452	-0.508	-0.188
F4	-1.354	-0.599	0.157
H5	1.180	1.487	-0.042
H6	0.630	0.585	1.375
H7	-1.297	1.411	0.062
H8	-0.699	0.526	-1.369
H9	0.989	-1.311	0.054

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5080	1.4105	2.3519	1.0894	1.0939	2.1575	2.1514	1.9245
C2	1.5080		2.4177	1.3856	2.1298	2.1356	1.0899	1.0890	2.5495
O3	1.4105	2.4177		2.8288	2.0186	2.0766	3.3614	2.6623	0.9581
F4	2.3519	1.3856	2.8288		3.2881	2.6119	2.0131	2.0059	2.4511
H5	1.0894	2.1298	2.0186	3.2881		1.7672	2.4798	2.4926	2.8060
H6	1.0939	2.1356	2.0766	2.6119	1.7672		2.4740	3.0491	2.3381
H7	2.1575	1.0899	3.3614	2.0131	2.4798	2.4740		1.7850	3.5542
H8	2.1514	1.0890	2.6623	2.0059	2.4926	3.0491	1.7850		2.8717
H9	1.9245	2.5495	0.9581	2.4511	2.8060	2.3381	3.5542	2.8717

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	108.668	C1	C2	H7	111.279
C1	C2	H8	110.843	C1	O3	H9	107.131
C2	C1	O3	111.830	C2	C1	H5	109.109
C2	C1	H6	109.297	O3	C1	H5	107.000
O3	C1	H6	111.405

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

using model chemistry: CCD/cc-pVTZ

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

using model chemistry: CCD/cc-pVTZ

States and conformations

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