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	hartrees
Energy at 0K	-613.769899
Energy at 298.15K	-613.775856
HF Energy	-613.003547
Nuclear repulsion energy	159.562068

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3935	3727	41.46
2	A'	3158	2991	10.96
3	A'	3073	2911	26.98
4	A'	1567	1485	2.24
5	A'	1529	1448	5.01
6	A'	1497	1418	3.42
7	A'	1337	1267	2.33
8	A'	1264	1198	57.55
9	A'	1128	1068	77.72
10	A'	1055	999	9.66
11	A'	816	773	62.08
12	A'	399	378	2.43
13	A'	251	238	8.84
14	A"	3226	3056	4.29
15	A"	3119	2954	30.18
16	A"	1330	1259	0.01
17	A"	1239	1173	1.18
18	A"	1087	1030	2.37
19	A"	811	768	0.01
20	A"	231	219	115.72
21	A"	130	123	13.82

Atom	x (Å)	y (Å)	z (Å)
C1	0.967	-0.562	0.000
C2	0.000	0.609	0.000
Cl3	-1.685	0.015	0.000
O4	2.259	0.011	0.000
H5	0.792	-1.181	0.887
H6	0.792	-1.181	-0.887
H7	0.139	1.222	0.888
H8	0.139	1.222	-0.888
H9	2.899	-0.700	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5186	2.7141	1.4130	1.0958	1.0958	2.1577	2.1577	1.9365
C2	1.5186		1.7863	2.3369	2.1485	2.1485	1.0881	1.0881	3.1808
Cl3	2.7141	1.7863		3.9438	2.8899	2.8899	2.3608	2.3608	4.6391
O4	1.4130	2.3369	3.9438		2.0877	2.0877	2.5976	2.5976	0.9566
H5	1.0958	2.1485	2.8899	2.0877		1.7748	2.4895	3.0576	2.3359
H6	1.0958	2.1485	2.8899	2.0877	1.7748		3.0576	2.4895	2.3359
H7	2.1577	1.0881	2.3608	2.5976	2.4895	3.0576		1.7758	3.4782
H8	2.1577	1.0881	2.3608	2.5976	3.0576	2.4895	1.7758		3.4782
H9	1.9365	3.1808	4.6391	0.9566	2.3359	2.3359	3.4782	3.4782

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.153	C1	C2	H7	110.657
C1	C2	H8	110.657	C1	O4	H9	108.071
C2	C1	O4	105.659	C2	C1	H5	109.471
C2	C1	H6	109.471	Cl3	C2	H7	107.957
Cl3	C2	H8	107.957	O4	C1	H5	112.020
O4	C1	H6	112.020	H5	C1	H6	108.151
H7	C2	H8	109.377

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

using model chemistry: CCD/6-31G(2df,p)

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(2df,p)

States and conformations

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