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	hartrees
Energy at 0K	-610.494028
Energy at 298.15K	-610.499972
HF Energy	-610.043655
Nuclear repulsion energy	157.124172

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3527	3343	2.35
2	A'	3168	3003	8.51
3	A'	3070	2911	24.21
4	A'	1632	1548	1.58
5	A'	1585	1502	5.42
6	A'	1500	1422	2.24
7	A'	1357	1287	1.20
8	A'	1269	1203	56.12
9	A'	1028	974	6.45
10	A'	1002	950	47.65
11	A'	756	716	73.13
12	A'	381	361	2.16
13	A'	250	237	13.19
14	A"	3235	3067	4.86
15	A"	3113	2951	41.51
16	A"	1372	1301	0.65
17	A"	1238	1173	0.38
18	A"	1108	1050	2.78
19	A"	854	810	0.10
20	A"	257	244	153.79
21	A"	131	124	14.69

Atom	x (Å)	y (Å)	z (Å)
C1	0.973	-0.578	0.000
C2	0.000	0.604	0.000
Cl3	-1.709	-0.005	0.000
O4	2.294	0.068	0.000
H5	0.803	-1.194	0.891
H6	0.803	-1.194	-0.891
H7	0.144	1.210	0.893
H8	0.144	1.210	-0.893
H9	2.982	-0.646	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5310	2.7425	1.4707	1.0968	1.0968	2.1634	2.1634	2.0103
C2	1.5310		1.8150	2.3556	2.1616	2.1616	1.0884	1.0884	3.2334
Cl3	2.7425	1.8150		4.0039	2.9184	2.9184	2.3894	2.3894	4.7348
O4	1.4707	2.3556	4.0039		2.1474	2.1474	2.5927	2.5927	0.9919
H5	1.0968	2.1616	2.9184	2.1474		1.7827	2.4924	3.0652	2.4174
H6	1.0968	2.1616	2.9184	2.1474	1.7827		3.0652	2.4924	2.4174
H7	2.1634	1.0884	2.3894	2.5927	2.4924	3.0652		1.7859	3.5065
H8	2.1634	1.0884	2.3894	2.5927	3.0652	2.4924	1.7859		3.5065
H9	2.0103	3.2334	4.7348	0.9919	2.4174	2.4174	3.5065	3.5065

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	109.808	C1	C2	H7	110.215
C1	C2	H8	110.215	C1	O4	H9	107.856
C2	C1	O4	103.375	C2	C1	H5	109.587
C2	C1	H6	109.587	Cl3	C2	H7	108.147
Cl3	C2	H8	108.147	O4	C1	H5	112.713
O4	C1	H6	112.713	H5	C1	H6	108.720
H7	C2	H8	110.258

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

using model chemistry: MP2=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: MP2=FULL/3-21G*

States and conformations

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