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	hartrees
Energy at 0K	-613.586658
Energy at 298.15K	-613.592627
HF Energy	-612.975673
Nuclear repulsion energy	158.931144

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3778	3597	25.46
2	A'	3138	2988	15.53
3	A'	3044	2899	34.67
4	A'	1583	1507	1.88
5	A'	1545	1471	5.29
6	A'	1501	1429	3.37
7	A'	1356	1292	0.66
8	A'	1271	1210	67.48
9	A'	1109	1056	77.30
10	A'	1062	1011	8.81
11	A'	809	770	67.07
12	A'	400	381	2.77
13	A'	256	244	10.47
14	A"	3202	3049	9.21
15	A"	3085	2938	43.50
16	A"	1336	1272	0.08
17	A"	1240	1181	0.86
18	A"	1109	1056	3.30
19	A"	823	784	0.00
20	A"	239	228	138.52
21	A"	134	128	16.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.968	-0.566	0.000
C2	0.000	0.604	0.000
Cl3	-1.691	0.015	0.000
O4	2.267	0.019	0.000
H5	0.799	-1.189	0.891
H6	0.799	-1.189	-0.891
H7	0.146	1.219	0.891
H8	0.146	1.219	-0.891
H9	2.920	-0.700	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5181	2.7217	1.4254	1.1005	1.1005	2.1574	2.1574	1.9571
C2	1.5181		1.7911	2.3416	2.1558	2.1558	1.0922	1.0922	3.1979
Cl3	2.7217	1.7911		3.9588	2.9064	2.9064	2.3705	2.3705	4.6666
O4	1.4254	2.3416	3.9588		2.0998	2.0998	2.5950	2.5950	0.9708
H5	1.1005	2.1558	2.9064	2.0998		1.7830	2.4950	3.0661	2.3521
H6	1.1005	2.1558	2.9064	2.0998	1.7830		3.0661	2.4950	2.3521
H7	2.1574	1.0922	2.3705	2.5950	2.4950	3.0661		1.7814	3.4887
H8	2.1574	1.0922	2.3705	2.5950	3.0661	2.4950	1.7814		3.4887
H9	1.9571	3.1979	4.6666	0.9708	2.3521	2.3521	3.4887	3.4887

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.391	C1	C2	H7	110.415
C1	C2	H8	110.415	C1	O4	H9	108.021
C2	C1	O4	105.365	C2	C1	H5	109.798
C2	C1	H6	109.798	Cl3	C2	H7	108.141
Cl3	C2	H8	108.141	O4	C1	H5	111.825
O4	C1	H6	111.825	H5	C1	H6	108.204
H7	C2	H8	109.272

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

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

States and conformations

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