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	hartrees
Energy at 0K	-613.264821
Energy at 298.15K	-613.270693
HF Energy	-612.891451
Nuclear repulsion energy	155.001080

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3713	3713	10.06
2	A'	3159	3159	9.32
3	A'	3049	3049	25.15
4	A'	1594	1594	1.18
5	A'	1554	1554	5.35
6	A'	1492	1492	2.40
7	A'	1340	1340	1.80
8	A'	1263	1263	56.43
9	A'	1055	1055	37.19
10	A'	1025	1025	42.10
11	A'	723	723	75.13
12	A'	374	374	2.93
13	A'	245	245	13.85
14	A"	3234	3234	7.25
15	A"	3093	3093	41.25
16	A"	1344	1344	0.18
17	A"	1221	1221	1.41
18	A"	1075	1075	2.27
19	A"	829	829	0.07
20	A"	242	242	189.91
21	A"	122	122	18.82

Atom	x (Å)	y (Å)	z (Å)
C1	1.020	-0.510	0.000
C2	0.000	0.623	0.000
Cl3	-1.746	-0.102	0.000
O4	2.319	0.167	0.000
H5	0.896	-1.140	0.895
H6	0.896	-1.140	-0.895
H7	0.083	1.237	0.899
H8	0.083	1.237	-0.899
H9	3.052	-0.475	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5250	2.7962	1.4646	1.1007	1.1007	2.1767	2.1767	2.0316
C2	1.5250		1.8904	2.3629	2.1704	2.1704	1.0912	1.0912	3.2431
Cl3	2.7962	1.8904		4.0734	2.9765	2.9765	2.4378	2.4378	4.8119
O4	1.4646	2.3629	4.0734		2.1285	2.1285	2.6362	2.6362	0.9746
H5	1.1007	2.1704	2.9765	2.1285		1.7892	2.5116	3.0860	2.4261
H6	1.1007	2.1704	2.9765	2.1285	1.7892		3.0860	2.5116	2.4261
H7	2.1767	1.0912	2.4378	2.6362	2.5116	3.0860		1.7971	3.5427
H8	2.1767	1.0912	2.4378	2.6362	3.0860	2.5116	1.7971		3.5427
H9	2.0316	3.2431	4.8119	0.9746	2.4261	2.4261	3.5427	3.5427

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	109.446	C1	C2	H7	111.541
C1	C2	H8	111.541	C1	O4	H9	111.203
C2	C1	O4	104.427	C2	C1	H5	110.463
C2	C1	H6	110.463	Cl3	C2	H7	106.599
Cl3	C2	H8	106.599	O4	C1	H5	111.359
O4	C1	H6	111.359	H5	C1	H6	108.736
H7	C2	H8	110.863

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

using model chemistry: MP3=FULL/6-31G

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/6-31G

States and conformations

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