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	hartrees
Energy at 0K	-613.594248
Energy at 298.15K	-613.600296
HF Energy	-613.037787
Nuclear repulsion energy	159.965874

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4014	3714	32.62
2	A'	3209	2969	19.04
3	A'	3122	2889	39.84
4	A'	1608	1488	1.70
5	A'	1571	1454	6.63
6	A'	1544	1429	1.46
7	A'	1394	1290	0.09
8	A'	1304	1207	89.15
9	A'	1159	1072	84.22
10	A'	1083	1002	9.52
11	A'	827	765	80.92
12	A'	411	380	2.91
13	A'	263	243	10.67
14	A"	3275	3031	11.06
15	A"	3165	2928	43.91
16	A"	1379	1276	0.15
17	A"	1281	1185	0.93
18	A"	1133	1048	5.64
19	A"	840	777	0.00
20	A"	239	221	155.99
21	A"	139	129	18.96

Atom	x (Å)	y (Å)	z (Å)
C1	0.967	-0.557	0.000
C2	0.000	0.605	0.000
Cl3	-1.683	0.012	0.000
O4	2.254	0.012	0.000
H5	0.800	-1.174	0.885
H6	0.800	-1.174	-0.885
H7	0.138	1.215	0.885
H8	0.138	1.215	-0.885
H9	2.904	-0.680	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5117	2.7102	1.4076	1.0918	1.0918	2.1468	2.1468	1.9416
C2	1.5117		1.7844	2.3307	2.1421	2.1421	1.0834	1.0834	3.1761
Cl3	2.7102	1.7844		3.9371	2.8904	2.8904	2.3548	2.3548	4.6394
O4	1.4076	2.3307	3.9371		2.0752	2.0752	2.5897	2.5897	0.9500
H5	1.0918	2.1421	2.8904	2.0752		1.7700	2.4788	3.0458	2.3360
H6	1.0918	2.1421	2.8904	2.0752	1.7700		3.0458	2.4788	2.3360
H7	2.1468	1.0834	2.3548	2.5897	2.4788	3.0458		1.7698	3.4679
H8	2.1468	1.0834	2.3548	2.5897	3.0458	2.4788	1.7698		3.4679
H9	1.9416	3.1761	4.6394	0.9500	2.3360	2.3360	3.4679	3.4679

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.351	C1	C2	H7	110.555
C1	C2	H8	110.555	C1	O4	H9	109.339
C2	C1	O4	105.897	C2	C1	H5	109.675
C2	C1	H6	109.675	Cl3	C2	H7	107.887
Cl3	C2	H8	107.887	O4	C1	H5	111.629
O4	C1	H6	111.629	H5	C1	H6	108.311
H7	C2	H8	109.526

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

using model chemistry: CISD/6-311G*

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: CISD/6-311G*

States and conformations

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