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	hartrees
Energy at 0K	-613.626894
Energy at 298.15K	-613.632773
HF Energy	-612.995137
Nuclear repulsion energy	159.566574

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3886	3650	46.07
2	A'	3187	2993	13.76
3	A'	3112	2923	34.07
4	A'	1577	1481	1.73
5	A'	1539	1446	4.77
6	A'	1482	1392	1.93
7	A'	1349	1267	5.98
8	A'	1247	1171	44.84
9	A'	1085	1019	102.98
10	A'	1056	992	4.31
11	A'	820	770	64.77
12	A'	402	378	3.60
13	A'	255	240	11.01
14	A"	3265	3066	4.73
15	A"	3173	2980	27.16
16	A"	1335	1254	0.05
17	A"	1234	1159	0.32
18	A"	1107	1040	2.63
19	A"	825	775	0.00
20	A"	188	176	100.16
21	A"	117	110	58.60

Atom	x (Å)	y (Å)	z (Å)
C1	0.954	-0.568	0.000
C2	0.000	0.604	0.000
Cl3	-1.684	0.022	0.000
O4	2.262	0.006	0.000
H5	0.790	-1.182	0.888
H6	0.790	-1.182	-0.888
H7	0.150	1.212	0.887
H8	0.150	1.212	-0.887
H9	2.915	-0.705	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5115	2.7030	1.4284	1.0916	1.0916	2.1450	2.1450	1.9653
C2	1.5115		1.7813	2.3402	2.1452	2.1452	1.0854	1.0854	3.1954
Cl3	2.7030	1.7813		3.9460	2.8905	2.8905	2.3587	2.3587	4.6555
O4	1.4284	2.3402	3.9460		2.0896	2.0896	2.5891	2.5891	0.9649
H5	1.0916	2.1452	2.8905	2.0896		1.7751	2.4778	3.0475	2.3516
H6	1.0916	2.1452	2.8905	2.0896	1.7751		3.0475	2.4778	2.3516
H7	2.1450	1.0854	2.3587	2.5891	2.4778	3.0475		1.7735	3.4794
H8	2.1450	1.0854	2.3587	2.5891	3.0475	2.4778	1.7735		3.4794
H9	1.9653	3.1954	4.6555	0.9649	2.3516	2.3516	3.4794	3.4794

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.079	C1	C2	H7	110.300
C1	C2	H8	110.300	C1	O4	H9	108.862
C2	C1	O4	105.473	C2	C1	H5	109.940
C2	C1	H6	109.940	Cl3	C2	H7	108.273
Cl3	C2	H8	108.273	O4	C1	H5	111.331
O4	C1	H6	111.331	H5	C1	H6	108.792
H7	C2	H8	109.565

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

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

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/6-31+G**

States and conformations

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