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	hartrees
Energy at 0K	-610.294900
Energy at 298.15K	-610.300776
HF Energy	-609.938858
Nuclear repulsion energy	154.767080

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3523	3364	1.99
2	A'	3190	3046	6.21
3	A'	3075	2936	22.53
4	A'	1632	1559	1.13
5	A'	1576	1505	5.88
6	A'	1501	1434	1.91
7	A'	1329	1269	0.30
8	A'	1264	1207	58.28
9	A'	1028	982	0.27
10	A'	1002	956	56.99
11	A'	709	677	74.19
12	A'	366	349	2.48
13	A'	240	229	13.93
14	A"	3268	3120	3.32
15	A"	3118	2978	40.85
16	A"	1370	1308	0.46
17	A"	1229	1174	0.85
18	A"	1063	1015	1.86
19	A"	843	805	0.19
20	A"	252	240	155.21
21	A"	125	120	15.86

Atom	x (Å)	y (Å)	z (Å)
C1	1.030	-0.497	0.000
C2	0.000	0.628	0.000
Cl3	-1.745	-0.138	0.000
O4	2.313	0.224	0.000
H5	0.895	-1.121	0.891
H6	0.895	-1.121	-0.891
H7	0.071	1.235	0.898
H8	0.071	1.235	-0.898
H9	3.040	-0.451	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5254	2.7973	1.4722	1.0963	1.0963	2.1738	2.1738	2.0111
C2	1.5254		1.9056	2.3483	2.1581	2.1581	1.0862	1.0862	3.2262
Cl3	2.7973	1.9056		4.0739	2.9546	2.9546	2.4475	2.4475	4.7949
O4	1.4722	2.3483	4.0739		2.1481	2.1481	2.6182	2.6182	0.9922
H5	1.0963	2.1581	2.9546	2.1481		1.7823	2.4962	3.0713	2.4173
H6	1.0963	2.1581	2.9546	2.1481	1.7823		3.0713	2.4962	2.4173
H7	2.1738	1.0862	2.4475	2.6182	2.4962	3.0713		1.7966	3.5305
H8	2.1738	1.0862	2.4475	2.6182	3.0713	2.4962	1.7966		3.5305
H9	2.0111	3.2262	4.7949	0.9922	2.4173	2.4173	3.5305	3.5305

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	108.729	C1	C2	H7	111.574
C1	C2	H8	111.574	C1	O4	H9	107.786
C2	C1	O4	103.128	C2	C1	H5	109.722
C2	C1	H6	109.722	Cl3	C2	H7	106.545
Cl3	C2	H8	106.545	O4	C1	H5	112.685
O4	C1	H6	112.685	H5	C1	H6	108.756
H7	C2	H8	111.575

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

using model chemistry: MP2=FULL/3-21G

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/3-21G

States and conformations

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