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	hartrees
Energy at 0K	-613.577331
Energy at 298.15K	-613.583328
HF Energy	-612.976100
Nuclear repulsion energy	159.212928

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3830	3595	32.33
2	A'	3174	2979	13.30
3	A'	3080	2891	31.94
4	A'	1594	1496	1.87
5	A'	1556	1460	5.55
6	A'	1513	1420	3.42
7	A'	1367	1284	0.75
8	A'	1279	1200	68.65
9	A'	1128	1058	75.52
10	A'	1069	1004	10.59
11	A'	822	772	65.65
12	A'	403	379	3.01
13	A'	258	242	10.68
14	A"	3239	3040	7.44
15	A"	3124	2932	40.39
16	A"	1346	1263	0.07
17	A"	1251	1174	0.93
18	A"	1117	1048	3.39
19	A"	828	777	0.00
20	A"	244	229	141.91
21	A"	136	127	15.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.965	-0.566	0.000
C2	0.000	0.605	0.000
Cl3	-1.688	0.018	0.000
O4	2.264	0.013	0.000
H5	0.795	-1.187	0.890
H6	0.795	-1.187	-0.890
H7	0.147	1.218	0.889
H8	0.147	1.218	-0.889
H9	2.914	-0.704	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5171	2.7173	1.4219	1.0980	1.0980	2.1541	2.1541	1.9535
C2	1.5171		1.7875	2.3401	2.1522	2.1522	1.0897	1.0897	3.1944
Cl3	2.7173	1.7875		3.9526	2.9003	2.9003	2.3662	2.3662	4.6588
O4	1.4219	2.3401	3.9526		2.0947	2.0947	2.5927	2.5927	0.9679
H5	1.0980	2.1522	2.9003	2.0947		1.7790	2.4901	3.0598	2.3479
H6	1.0980	2.1522	2.9003	2.0947	1.7790		3.0598	2.4901	2.3479
H7	2.1541	1.0897	2.3662	2.5927	2.4901	3.0598		1.7775	3.4841
H8	2.1541	1.0897	2.3662	2.5927	3.0598	2.4901	1.7775		3.4841
H9	1.9535	3.1944	4.6588	0.9679	2.3479	2.3479	3.4841	3.4841

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.363	C1	C2	H7	110.371
C1	C2	H8	110.371	C1	O4	H9	108.153
C2	C1	O4	105.495	C2	C1	H5	109.731
C2	C1	H6	109.731	Cl3	C2	H7	108.193
Cl3	C2	H8	108.193	O4	C1	H5	111.818
O4	C1	H6	111.818	H5	C1	H6	108.220
H7	C2	H8	109.288

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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