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	hartrees
Energy at 0K	-610.285371
Energy at 298.15K	-610.291246
HF Energy	-609.938827
Nuclear repulsion energy	154.749114

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3522	3362	1.98
2	A'	3190	3045	6.26
3	A'	3075	2935	22.59
4	A'	1632	1558	1.12
5	A'	1576	1505	5.86
6	A'	1501	1433	1.92
7	A'	1329	1269	0.31
8	A'	1264	1206	58.37
9	A'	1028	981	0.24
10	A'	1001	956	56.82
11	A'	709	677	74.32
12	A'	365	349	2.47
13	A'	240	229	13.93
14	A"	3267	3119	3.37
15	A"	3118	2976	40.94
16	A"	1370	1308	0.47
17	A"	1229	1173	0.84
18	A"	1064	1016	1.86
19	A"	843	805	0.18
20	A"	251	240	155.06
21	A"	125	120	15.88

Atom	x (Å)	y (Å)	z (Å)
C1	1.030	-0.498	0.000
C2	0.000	0.628	0.000
Cl3	-1.745	-0.138	0.000
O4	2.314	0.224	0.000
H5	0.896	-1.122	0.891
H6	0.896	-1.122	-0.891
H7	0.072	1.235	0.898
H8	0.072	1.235	-0.898
H9	3.040	-0.452	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5257	2.7978	1.4725	1.0964	1.0964	2.1740	2.1740	2.0112
C2	1.5257		1.9055	2.3486	2.1585	2.1585	1.0864	1.0864	3.2265
Cl3	2.7978	1.9055		4.0744	2.9555	2.9555	2.4475	2.4475	4.7955
O4	1.4725	2.3486	4.0744		2.1484	2.1484	2.6183	2.6183	0.9923
H5	1.0964	2.1585	2.9555	2.1484		1.7826	2.4966	3.0718	2.4174
H6	1.0964	2.1585	2.9555	2.1484	1.7826		3.0718	2.4966	2.4174
H7	2.1740	1.0864	2.4475	2.6183	2.4966	3.0718		1.7967	3.5306
H8	2.1740	1.0864	2.4475	2.6183	3.0718	2.4966	1.7967		3.5306
H9	2.0112	3.2265	4.7955	0.9923	2.4174	2.4174	3.5306	3.5306

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	108.753	C1	C2	H7	111.565
C1	C2	H8	111.565	C1	O4	H9	107.767
C2	C1	O4	103.117	C2	C1	H5	109.726
C2	C1	H6	109.726	Cl3	C2	H7	106.546
Cl3	C2	H8	106.546	O4	C1	H5	112.681
O4	C1	H6	112.681	H5	C1	H6	108.766
H7	C2	H8	111.570

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

using model chemistry: MP2/3-21G

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: MP2/3-21G

States and conformations

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