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	hartrees
Energy at 0K	-613.693745
Energy at 298.15K	-613.699683
HF Energy	-613.031065
Nuclear repulsion energy	158.611533

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3833	3715	47.70
2	A'	3133	3037	13.41
3	A'	3066	2971	29.60
4	A'	1518	1471	2.16
5	A'	1488	1442	4.52
6	A'	1439	1395	2.00
7	A'	1293	1253	1.12
8	A'	1236	1198	37.24
9	A'	1065	1033	103.46
10	A'	1045	1012	4.59
11	A'	790	766	60.54
12	A'	392	380	2.58
13	A'	249	241	9.42
14	A"	3212	3113	3.91
15	A"	3126	3030	21.29
16	A"	1300	1260	0.10
17	A"	1204	1167	0.21
18	A"	1063	1030	1.53
19	A"	802	777	0.04
20	A"	245	237	106.31
21	A"	126	122	17.61

Atom	x (Å)	y (Å)	z (Å)
C1	0.962	-0.556	0.000
C2	0.000	0.619	0.000
Cl3	-1.690	0.001	0.000
O4	2.275	0.022	0.000
H5	0.793	-1.175	0.897
H6	0.793	-1.175	-0.897
H7	0.130	1.233	0.899
H8	0.130	1.233	-0.899
H9	2.921	-0.696	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5187	2.7106	1.4344	1.1025	1.1025	2.1687	2.1687	1.9638
C2	1.5187		1.7997	2.3516	2.1563	2.1563	1.0964	1.0964	3.2031
Cl3	2.7106	1.7997		3.9652	2.8905	2.8905	2.3745	2.3745	4.6639
O4	1.4344	2.3516	3.9652		2.1054	2.1054	2.6220	2.6220	0.9661
H5	1.1025	2.1563	2.8905	2.1054		1.7939	2.4976	3.0761	2.3584
H6	1.1025	2.1563	2.8905	2.1054	1.7939		3.0761	2.4976	2.3584
H7	2.1687	1.0964	2.3745	2.6220	2.4976	3.0761		1.7975	3.5100
H8	2.1687	1.0964	2.3745	2.6220	3.0761	2.4976	1.7975		3.5100
H9	1.9638	3.2031	4.6639	0.9661	2.3584	2.3584	3.5100	3.5100

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	109.252	C1	C2	H7	111.020
C1	C2	H8	111.020	C1	O4	H9	108.195
C2	C1	O4	105.522	C2	C1	H5	109.676
C2	C1	H6	109.676	Cl3	C2	H7	107.659
Cl3	C2	H8	107.659	O4	C1	H5	111.510
O4	C1	H6	111.510	H5	C1	H6	108.893
H7	C2	H8	110.108

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

using model chemistry: MP2=FULL/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

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