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	hartrees
Energy at 0K	-613.274469
Energy at 298.15K	-613.280285
HF Energy	-612.890405
Nuclear repulsion energy	154.406812

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3639	3507	6.34
2	A'	3120	3007	9.48
3	A'	3013	2903	25.15
4	A'	1579	1521	1.09
5	A'	1536	1481	5.09
6	A'	1473	1419	2.18
7	A'	1319	1271	1.48
8	A'	1250	1204	56.22
9	A'	1042	1004	29.80
10	A'	993	956	46.93
11	A'	696	671	77.70
12	A'	365	352	2.28
13	A'	241	233	13.74
14	A"	3196	3080	7.07
15	A"	3057	2945	40.85
16	A"	1329	1280	0.20
17	A"	1204	1160	1.20
18	A"	1060	1022	2.06
19	A"	822	792	0.06
20	A"	236	227	184.22
21	A"	119	115	20.52

Atom	x (Å)	y (Å)	z (Å)
C1	1.026	-0.505	0.000
C2	0.000	0.626	0.000
Cl3	-1.752	-0.116	0.000
O4	2.325	0.187	0.000
H5	0.907	-1.136	0.897
H6	0.907	-1.136	-0.897
H7	0.073	1.241	0.902
H8	0.073	1.241	-0.902
H9	3.063	-0.456	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5271	2.8053	1.4724	1.1032	1.1032	2.1837	2.1837	2.0377
C2	1.5271		1.9027	2.3664	2.1754	2.1754	1.0939	1.0939	3.2487
Cl3	2.8053	1.9027		4.0888	2.9861	2.9861	2.4467	2.4467	4.8273
O4	1.4724	2.3664	4.0888		2.1373	2.1373	2.6446	2.6446	0.9790
H5	1.1032	2.1754	2.9861	2.1373		1.7943	2.5186	3.0951	2.4323
H6	1.1032	2.1754	2.9861	2.1373	1.7943		3.0951	2.5186	2.4323
H7	2.1837	1.0939	2.4467	2.6446	2.5186	3.0951		1.8037	3.5540
H8	2.1837	1.0939	2.4467	2.6446	3.0951	2.5186	1.8037		3.5540
H9	2.0377	3.2487	4.8273	0.9790	2.4323	2.4323	3.5540	3.5540

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	109.261	C1	C2	H7	111.782
C1	C2	H8	111.782	C1	O4	H9	110.847
C2	C1	O4	104.155	C2	C1	H5	110.556
C2	C1	H6	110.556	Cl3	C2	H7	106.317
Cl3	C2	H8	106.317	O4	C1	H5	111.354
O4	C1	H6	111.354	H5	C1	H6	108.825
H7	C2	H8	111.066

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)