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	hartrees
Energy at 0K	-610.320801
Energy at 298.15K	-610.326628
HF Energy	-609.938225
Nuclear repulsion energy	154.187873

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3485	3378	0.12
2	A'	3137	3040	6.25
3	A'	3020	2927	22.01
4	A'	1608	1559	1.22
5	A'	1550	1503	5.74
6	A'	1486	1440	1.94
7	A'	1312	1272	1.13
8	A'	1251	1213	61.22
9	A'	1013	982	4.67
10	A'	995	964	48.30
11	A'	688	667	74.30
12	A'	358	347	2.04
13	A'	237	230	13.72
14	A"	3209	3111	4.05
15	A"	3056	2962	40.45
16	A"	1347	1306	0.42
17	A"	1211	1174	1.01
18	A"	1044	1012	1.80
19	A"	829	804	0.11
20	A"	249	242	153.86
21	A"	121	117	15.79

Atom	x (Å)	y (Å)	z (Å)
C1	1.036	-0.493	0.000
C2	0.000	0.636	0.000
Cl3	-1.751	-0.147	0.000
O4	2.320	0.230	0.000
H5	0.902	-1.119	0.895
H6	0.902	-1.119	-0.895
H7	0.064	1.244	0.902
H8	0.064	1.244	-0.902
H9	3.050	-0.444	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5316	2.8079	1.4736	1.1003	1.1003	2.1847	2.1847	2.0150
C2	1.5316		1.9177	2.3554	2.1661	2.1661	1.0900	1.0900	3.2357
Cl3	2.8079	1.9177		4.0883	2.9634	2.9634	2.4582	2.4582	4.8101
O4	1.4736	2.3554	4.0883		2.1518	2.1518	2.6327	2.6327	0.9935
H5	1.1003	2.1661	2.9634	2.1518		1.7896	2.5067	3.0843	2.4229
H6	1.1003	2.1661	2.9634	2.1518	1.7896		3.0843	2.5067	2.4229
H7	2.1847	1.0900	2.4582	2.6327	2.5067	3.0843		1.8045	3.5466
H8	2.1847	1.0900	2.4582	2.6327	3.0843	2.5067	1.8045		3.5466
H9	2.0150	3.2357	4.8101	0.9935	2.4229	2.4229	3.5466	3.5466

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	108.467	C1	C2	H7	111.784
C1	C2	H8	111.784	C1	O4	H9	107.936
C2	C1	O4	103.198	C2	C1	H5	109.692
C2	C1	H6	109.692	Cl3	C2	H7	106.353
Cl3	C2	H8	106.353	O4	C1	H5	112.642
O4	C1	H6	112.642	H5	C1	H6	108.827
H7	C2	H8	111.743

All results from a given calculation for CH₂ClCH₂OH (2-Chloroethanol)

using model chemistry: QCISD/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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All results from a given calculation for CH2ClCH2OH (2-Chloroethanol)

using model chemistry: QCISD/3-21G

States and conformations

All results from a given calculation for CH₂ClCH₂OH (2-Chloroethanol)