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	hartrees
Energy at 0K	-613.582052
Energy at 298.15K	-613.588045
HF Energy	-612.975843
Nuclear repulsion energy	159.108477

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3801	3597	28.50
2	A'	3147	2979	14.61
3	A'	3056	2893	32.35
4	A'	1586	1501	1.86
5	A'	1549	1466	5.49
6	A'	1508	1427	3.31
7	A'	1364	1291	0.73
8	A'	1275	1207	68.30
9	A'	1122	1062	74.41
10	A'	1066	1009	9.96
11	A'	823	779	64.38
12	A'	402	381	3.07
13	A'	258	244	10.55
14	A"	3212	3040	8.30
15	A"	3101	2935	40.61
16	A"	1341	1269	0.07
17	A"	1246	1179	0.90
18	A"	1113	1054	3.33
19	A"	825	781	0.00
20	A"	246	233	141.05
21	A"	135	128	14.88

Atom	x (Å)	y (Å)	z (Å)
C1	0.965	-0.568	0.000
C2	0.000	0.604	0.000
Cl3	-1.689	0.020	0.000
O4	2.265	0.012	0.000
H5	0.795	-1.190	0.891
H6	0.795	-1.190	-0.891
H7	0.149	1.218	0.890
H8	0.149	1.218	-0.890
H9	2.916	-0.708	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5177	2.7190	1.4231	1.0999	1.0999	2.1559	2.1559	1.9556
C2	1.5177		1.7872	2.3413	2.1546	2.1546	1.0918	1.0918	3.1971
Cl3	2.7190	1.7872		3.9546	2.9037	2.9037	2.3679	2.3679	4.6624
O4	1.4231	2.3413	3.9546		2.0971	2.0971	2.5936	2.5936	0.9697
H5	1.0999	2.1546	2.9037	2.0971		1.7818	2.4934	3.0640	2.3502
H6	1.0999	2.1546	2.9037	2.0971	1.7818		3.0640	2.4934	2.3502
H7	2.1559	1.0918	2.3679	2.5936	2.4934	3.0640		1.7798	3.4866
H8	2.1559	1.0918	2.3679	2.5936	3.0640	2.4934	1.7798		3.4866
H9	1.9556	3.1971	4.6624	0.9697	2.3502	2.3502	3.4866	3.4866

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.448	C1	C2	H7	110.345
C1	C2	H8	110.345	C1	O4	H9	108.128
C2	C1	O4	105.482	C2	C1	H5	109.768
C2	C1	H6	109.768	Cl3	C2	H7	108.229
Cl3	C2	H8	108.229	O4	C1	H5	111.801
O4	C1	H6	111.801	H5	C1	H6	108.195
H7	C2	H8	109.184

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

using model chemistry: CCD/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: CCD/6-31G*

States and conformations

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