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	hartrees
Energy at 0K	-613.245519
Energy at 298.15K	-613.251373
HF Energy	-612.890956
Nuclear repulsion energy	154.880475

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3654	3472	11.97
2	A'	3167	3009	9.95
3	A'	3063	2910	25.81
4	A'	1599	1519	0.97
5	A'	1559	1481	5.06
6	A'	1486	1412	2.11
7	A'	1339	1272	4.30
8	A'	1256	1193	48.16
9	A'	1053	1000	24.25
10	A'	990	941	55.66
11	A'	720	684	77.05
12	A'	372	353	2.99
13	A'	244	232	13.92
14	A"	3250	3087	6.27
15	A"	3117	2962	40.75
16	A"	1349	1282	0.25
17	A"	1218	1157	0.93
18	A"	1079	1025	2.15
19	A"	834	792	0.13
20	A"	235	223	183.06
21	A"	123	116	21.48

Atom	x (Å)	y (Å)	z (Å)
C1	1.018	-0.512	0.000
C2	0.000	0.620	0.000
Cl3	-1.747	-0.104	0.000
O4	2.321	0.176	0.000
H5	0.898	-1.140	0.894
H6	0.898	-1.140	-0.894
H7	0.082	1.233	0.898
H8	0.082	1.233	-0.898
H9	3.054	-0.474	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5226	2.7948	1.4737	1.0992	1.0992	2.1742	2.1742	2.0365
C2	1.5226		1.8906	2.3635	2.1689	2.1689	1.0904	1.0904	3.2443
Cl3	2.7948	1.8906		4.0776	2.9781	2.9781	2.4367	2.4367	4.8152
O4	1.4737	2.3635	4.0776		2.1346	2.1346	2.6339	2.6339	0.9795
H5	1.0992	2.1689	2.9781	2.1346		1.7882	2.5093	3.0836	2.4273
H6	1.0992	2.1689	2.9781	2.1346	1.7882		3.0836	2.5093	2.4273
H7	2.1742	1.0904	2.4367	2.6339	2.5093	3.0836		1.7964	3.5430
H8	2.1742	1.0904	2.4367	2.6339	3.0836	2.5093	1.7964		3.5430
H9	2.0365	3.2443	4.8152	0.9795	2.4273	2.4273	3.5430	3.5430

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	109.464	C1	C2	H7	111.555
C1	C2	H8	111.555	C1	O4	H9	110.612
C2	C1	O4	104.139	C2	C1	H5	110.600
C2	C1	H6	110.600	Cl3	C2	H7	106.548
Cl3	C2	H8	106.548	O4	C1	H5	111.298
O4	C1	H6	111.298	H5	C1	H6	108.863
H7	C2	H8	110.912

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

using model chemistry: MP2=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: MP2=FULL/6-31G

States and conformations

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