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	hartrees
Energy at 0K	-610.520027
Energy at 298.15K	-610.525973
HF Energy	-610.043947
Nuclear repulsion energy	157.106801

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3561	3561	0.63
2	A'	3157	3157	8.93
3	A'	3056	3056	23.14
4	A'	1625	1625	1.57
5	A'	1579	1579	5.53
6	A'	1504	1504	2.59
7	A'	1359	1359	0.15
8	A'	1273	1273	61.07
9	A'	1043	1043	25.51
10	A'	1008	1008	26.47
11	A'	757	757	71.54
12	A'	381	381	2.16
13	A'	250	250	13.09
14	A"	3219	3219	5.76
15	A"	3092	3092	40.86
16	A"	1367	1367	0.58
17	A"	1237	1237	0.63
18	A"	1103	1103	2.94
19	A"	849	849	0.06
20	A"	261	261	156.46
21	A"	128	128	13.34

Atom	x (Å)	y (Å)	z (Å)
C1	0.975	-0.577	0.000
C2	0.000	0.607	0.000
Cl3	-1.710	-0.004	0.000
O4	2.293	0.061	0.000
H5	0.805	-1.194	0.892
H6	0.805	-1.194	-0.892
H7	0.144	1.213	0.893
H8	0.144	1.213	-0.893
H9	2.983	-0.647	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5338	2.7460	1.4646	1.0980	1.0980	2.1664	2.1664	2.0089
C2	1.5338		1.8161	2.3573	2.1648	2.1648	1.0891	1.0891	3.2357
Cl3	2.7460	1.8161		4.0042	2.9219	2.9219	2.3912	2.3912	4.7371
O4	1.4646	2.3573	4.0042		2.1419	2.1419	2.5967	2.5967	0.9886
H5	1.0980	2.1648	2.9219	2.1419		1.7843	2.4961	3.0688	2.4166
H6	1.0980	2.1648	2.9219	2.1419	1.7843		3.0688	2.4961	2.4166
H7	2.1664	1.0891	2.3912	2.5967	2.4961	3.0688		1.7863	3.5095
H8	2.1664	1.0891	2.3912	2.5967	3.0688	2.4961	1.7863		3.5095
H9	2.0089	3.2357	4.7371	0.9886	2.4166	2.4166	3.5095	3.5095

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	109.827	C1	C2	H7	110.215
C1	C2	H8	110.215	C1	O4	H9	108.386
C2	C1	O4	103.634	C2	C1	H5	109.566
C2	C1	H6	109.566	Cl3	C2	H7	108.171
Cl3	C2	H8	108.171	O4	C1	H5	112.626
O4	C1	H6	112.626	H5	C1	H6	108.689
H7	C2	H8	110.192

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

using model chemistry: MP3=FULL/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: MP3=FULL/3-21G*

States and conformations

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