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	hartrees
Energy at 0K	-613.630888
Energy at 298.15K	-613.636865
HF Energy	-612.989046
Nuclear repulsion energy	159.211797

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3916	3687	25.82
2	A'	3174	2988	17.16
3	A'	3082	2901	37.32
4	A'	1592	1498	2.26
5	A'	1552	1461	4.82
6	A'	1507	1419	3.59
7	A'	1358	1279	1.33
8	A'	1267	1193	69.28
9	A'	1113	1048	78.85
10	A'	1061	999	9.96
11	A'	811	763	65.69
12	A'	400	377	2.64
13	A'	255	240	9.83
14	A"	3243	3053	10.86
15	A"	3127	2944	45.84
16	A"	1343	1264	0.05
17	A"	1247	1174	1.12
18	A"	1111	1046	3.31
19	A"	823	775	0.07
20	A"	235	221	131.89
21	A"	135	127	15.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.967	-0.565	0.000
C2	0.000	0.604	0.000
Cl3	-1.690	0.016	0.000
O4	2.266	0.015	0.000
H5	0.797	-1.184	0.886
H6	0.797	-1.184	-0.886
H7	0.146	1.216	0.886
H8	0.146	1.216	-0.886
H9	2.911	-0.699	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5170	2.7202	1.4225	1.0948	1.0948	2.1516	2.1516	1.9484
C2	1.5170		1.7893	2.3418	2.1490	2.1490	1.0866	1.0866	3.1894
Cl3	2.7202	1.7893		3.9565	2.9001	2.9001	2.3650	2.3650	4.6564
O4	1.4225	2.3418	3.9565		2.0938	2.0938	2.5932	2.5932	0.9620
H5	1.0948	2.1490	2.9001	2.0938		1.7726	2.4865	3.0537	2.3434
H6	1.0948	2.1490	2.9001	2.0938	1.7726		3.0537	2.4865	2.3434
H7	2.1516	1.0866	2.3650	2.5932	2.4865	3.0537		1.7727	3.4783
H8	2.1516	1.0866	2.3650	2.5932	3.0537	2.4865	1.7727		3.4783
H9	1.9484	3.1894	4.6564	0.9620	2.3434	2.3434	3.4783	3.4783

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.445	C1	C2	H7	110.364
C1	C2	H8	110.364	C1	O4	H9	108.030
C2	C1	O4	105.574	C2	C1	H5	109.668
C2	C1	H6	109.668	Cl3	C2	H7	108.146
Cl3	C2	H8	108.146	O4	C1	H5	111.899
O4	C1	H6	111.899	H5	C1	H6	108.103
H7	C2	H8	109.313

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)