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	hartrees
Energy at 0K	-613.773371
Energy at 298.15K	-613.779343
HF Energy	-613.003330
Nuclear repulsion energy	160.320514

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3901	3666	47.40
2	A'	3170	2979	9.95
3	A'	3084	2899	26.94
4	A'	1564	1470	2.10
5	A'	1529	1437	4.57
6	A'	1482	1393	3.17
7	A'	1324	1245	0.82
8	A'	1256	1181	45.57
9	A'	1116	1049	82.11
10	A'	1064	1000	13.32
11	A'	825	776	60.13
12	A'	402	378	2.72
13	A'	251	236	8.83
14	A"	3244	3049	2.71
15	A"	3138	2949	27.97
16	A"	1338	1258	0.04
17	A"	1239	1164	0.65
18	A"	1090	1024	2.58
19	A"	818	768	0.07
20	A"	231	217	113.85
21	A"	135	127	14.96

Atom	x (Å)	y (Å)	z (Å)
C1	0.957	-0.563	0.000
C2	0.000	0.605	0.000
Cl3	-1.674	0.018	0.000
O4	2.248	0.009	0.000
H5	0.778	-1.180	0.885
H6	0.778	-1.180	-0.885
H7	0.146	1.217	0.885
H8	0.146	1.217	-0.885
H9	2.884	-0.708	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5100	2.6942	1.4120	1.0938	1.0938	2.1471	2.1471	1.9324
C2	1.5100		1.7737	2.3253	2.1389	2.1389	1.0863	1.0863	3.1688
Cl3	2.6942	1.7737		3.9216	2.8685	2.8685	2.3525	2.3525	4.6152
O4	1.4120	2.3253	3.9216		2.0880	2.0880	2.5804	2.5804	0.9588
H5	1.0938	2.1389	2.8685	2.0880		1.7703	2.4789	3.0463	2.3330
H6	1.0938	2.1389	2.8685	2.0880	1.7703		3.0463	2.4789	2.3330
H7	2.1471	1.0863	2.3525	2.5804	2.4789	3.0463		1.7708	3.4619
H8	2.1471	1.0863	2.3525	2.5804	3.0463	2.4789	1.7708		3.4619
H9	1.9324	3.1688	4.6152	0.9588	2.3330	2.3330	3.4619	3.4619

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.005	C1	C2	H7	110.517
C1	C2	H8	110.517	C1	O4	H9	107.653
C2	C1	O4	105.413	C2	C1	H5	109.415
C2	C1	H6	109.415	Cl3	C2	H7	108.273
Cl3	C2	H8	108.273	O4	C1	H5	112.251
O4	C1	H6	112.251	H5	C1	H6	108.039
H7	C2	H8	109.193

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

using model chemistry: MP2=FULL/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

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