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	hartrees
Energy at 0K	-613.639663
Energy at 298.15K	-613.645570
HF Energy	-612.995378
Nuclear repulsion energy	159.251741

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3931	3705	40.45
2	A'	3178	2994	15.43
3	A'	3102	2923	34.94
4	A'	1583	1491	1.74
5	A'	1545	1456	4.97
6	A'	1498	1412	1.96
7	A'	1360	1281	3.96
8	A'	1259	1186	58.81
9	A'	1110	1046	93.82
10	A'	1058	997	5.15
11	A'	819	772	64.33
12	A'	402	379	3.39
13	A'	257	242	10.75
14	A"	3248	3060	7.17
15	A"	3153	2971	30.88
16	A"	1338	1260	0.01
17	A"	1241	1169	0.73
18	A"	1109	1045	2.60
19	A"	822	775	0.02
20	A"	196	185	116.15
21	A"	121	114	41.57

Atom	x (Å)	y (Å)	z (Å)
C1	0.960	-0.567	0.000
C2	0.000	0.607	0.000
Cl3	-1.688	0.023	0.000
O4	2.267	0.002	0.000
H5	0.795	-1.183	0.888
H6	0.795	-1.183	-0.888
H7	0.148	1.217	0.887
H8	0.148	1.217	-0.887
H9	2.919	-0.706	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5165	2.7133	1.4256	1.0931	1.0931	2.1512	2.1512	1.9634
C2	1.5165		1.7867	2.3466	2.1505	2.1505	1.0865	1.0865	3.2003
Cl3	2.7133	1.7867		3.9557	2.9002	2.9002	2.3631	2.3631	4.6642
O4	1.4256	2.3466	3.9557		2.0876	2.0876	2.5990	2.5990	0.9619
H5	1.0931	2.1505	2.9002	2.0876		1.7761	2.4852	3.0541	2.3501
H6	1.0931	2.1505	2.9002	2.0876	1.7761		3.0541	2.4852	2.3501
H7	2.1512	1.0865	2.3631	2.5990	2.4852	3.0541		1.7744	3.4872
H8	2.1512	1.0865	2.3631	2.5990	3.0541	2.4852	1.7744		3.4872
H9	1.9634	3.2003	4.6642	0.9619	2.3501	2.3501	3.4872	3.4872

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.183	C1	C2	H7	110.377
C1	C2	H8	110.377	C1	O4	H9	109.098
C2	C1	O4	105.758	C2	C1	H5	109.923
C2	C1	H6	109.923	Cl3	C2	H7	108.181
Cl3	C2	H8	108.181	O4	C1	H5	111.274
O4	C1	H6	111.274	H5	C1	H6	108.663
H7	C2	H8	109.484

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

using model chemistry: CCD/6-31+G**

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: CCD/6-31+G**

States and conformations

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