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	hartrees
Energy at 0K	-611.177962
Energy at 298.15K	-611.183807
HF Energy	-611.059088
Nuclear repulsion energy	155.249546

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3512	3344	1.22
2	A'	3183	3030	5.97
3	A'	3060	2914	24.90
4	A'	1614	1536	1.70
5	A'	1559	1484	6.25
6	A'	1487	1416	1.53
7	A'	1315	1251	0.06
8	A'	1256	1196	56.21
9	A'	1027	978	1.20
10	A'	998	950	64.75
11	A'	697	663	83.42
12	A'	364	347	1.80
13	A'	239	228	14.00
14	A"	3260	3103	3.22
15	A"	3100	2952	42.56
16	A"	1355	1290	0.48
17	A"	1213	1155	0.65
18	A"	1052	1001	1.78
19	A"	840	800	0.35
20	A"	246	234	151.50
21	A"	121	115	17.83

Atom	x (Å)	y (Å)	z (Å)
C1	1.027	-0.490	0.000
C2	0.000	0.632	0.000
Cl3	-1.737	-0.145	0.000
O4	2.303	0.227	0.000
H5	0.890	-1.113	0.890
H6	0.890	-1.113	-0.890
H7	0.064	1.237	0.898
H8	0.064	1.237	-0.898
H9	3.033	-0.446	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5211	2.7858	1.4639	1.0951	1.0951	2.1718	2.1718	2.0067
C2	1.5211		1.9027	2.3387	2.1512	2.1512	1.0846	1.0846	3.2189
Cl3	2.7858	1.9027		4.0575	2.9377	2.9377	2.4412	2.4412	4.7800
O4	1.4639	2.3387	4.0575		2.1416	2.1416	2.6155	2.6155	0.9922
H5	1.0951	2.1512	2.9377	2.1416		1.7805	2.4909	3.0661	2.4154
H6	1.0951	2.1512	2.9377	2.1416	1.7805		3.0661	2.4909	2.4154
H7	2.1718	1.0846	2.4412	2.6155	2.4909	3.0661		1.7952	3.5288
H8	2.1718	1.0846	2.4412	2.6155	3.0661	2.4909	1.7952		3.5288
H9	2.0067	3.2189	4.7800	0.9922	2.4154	2.4154	3.5288	3.5288

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	108.395	C1	C2	H7	111.825
C1	C2	H8	111.825	C1	O4	H9	108.038
C2	C1	O4	103.148	C2	C1	H5	109.550
C2	C1	H6	109.550	Cl3	C2	H7	106.363
Cl3	C2	H8	106.363	O4	C1	H5	112.832
O4	C1	H6	112.832	H5	C1	H6	108.763
H7	C2	H8	111.709

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

using model chemistry: B2PLYP=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: B2PLYP=FULL/3-21G

States and conformations

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