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	hartrees
Energy at 0K	-613.239072
Energy at 298.15K	-613.244925
HF Energy	-612.890922
Nuclear repulsion energy	154.862078

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3654	3496	11.95
2	A'	3167	3030	10.01
3	A'	3063	2931	25.86
4	A'	1599	1530	0.96
5	A'	1559	1492	5.04
6	A'	1486	1422	2.12
7	A'	1339	1281	4.30
8	A'	1256	1202	48.28
9	A'	1052	1007	24.15
10	A'	990	947	55.58
11	A'	720	689	77.19
12	A'	372	356	2.99
13	A'	244	233	13.93
14	A"	3249	3109	6.34
15	A"	3117	2982	40.83
16	A"	1349	1291	0.25
17	A"	1218	1165	0.92
18	A"	1079	1033	2.15
19	A"	834	798	0.13
20	A"	234	224	182.88
21	A"	122	117	21.59

Atom	x (Å)	y (Å)	z (Å)
C1	1.018	-0.513	0.000
C2	0.000	0.620	0.000
Cl3	-1.747	-0.103	0.000
O4	2.322	0.175	0.000
H5	0.898	-1.141	0.894
H6	0.898	-1.141	-0.894
H7	0.083	1.233	0.898
H8	0.083	1.233	-0.898
H9	3.054	-0.475	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5229	2.7953	1.4739	1.0993	1.0993	2.1745	2.1745	2.0367
C2	1.5229		1.8906	2.3639	2.1693	2.1693	1.0906	1.0906	3.2447
Cl3	2.7953	1.8906		4.0782	2.9788	2.9788	2.4369	2.4369	4.8158
O4	1.4739	2.3639	4.0782		2.1349	2.1349	2.6341	2.6341	0.9795
H5	1.0993	2.1693	2.9788	2.1349		1.7885	2.5097	3.0841	2.4275
H6	1.0993	2.1693	2.9788	2.1349	1.7885		3.0841	2.5097	2.4275
H7	2.1745	1.0906	2.4369	2.6341	2.5097	3.0841		1.7965	3.5432
H8	2.1745	1.0906	2.4369	2.6341	3.0841	2.5097	1.7965		3.5432
H9	2.0367	3.2447	4.8158	0.9795	2.4275	2.4275	3.5432	3.5432

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	109.479	C1	C2	H7	111.548
C1	C2	H8	111.548	C1	O4	H9	110.602
C2	C1	O4	104.132	C2	C1	H5	110.604
C2	C1	H6	110.604	Cl3	C2	H7	106.552
Cl3	C2	H8	106.552	O4	C1	H5	111.294
O4	C1	H6	111.294	H5	C1	H6	108.869
H7	C2	H8	110.904

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

using model chemistry: MP2/6-31G

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: MP2/6-31G

States and conformations

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