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	hartrees
Energy at 0K	-613.499295
Energy at 298.15K	-613.505350
HF Energy	-612.976848
Nuclear repulsion energy	159.792948

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3936	3636	44.60
2	A'	3232	2985	15.03
3	A'	3140	2901	34.55
4	A'	1626	1502	2.01
5	A'	1588	1466	6.64
6	A'	1547	1429	3.24
7	A'	1396	1290	0.96
8	A'	1303	1204	77.70
9	A'	1159	1071	81.15
10	A'	1087	1004	10.99
11	A'	836	772	76.57
12	A'	412	380	2.59
13	A'	264	244	10.88
14	A"	3298	3047	7.87
15	A"	3185	2942	43.43
16	A"	1377	1272	0.03
17	A"	1281	1184	1.33
18	A"	1140	1053	3.42
19	A"	843	779	0.00
20	A"	250	231	147.72
21	A"	139	129	15.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.965	-0.563	0.000
C2	0.000	0.602	0.000
Cl3	-1.684	0.018	0.000
O4	2.256	0.012	0.000
H5	0.798	-1.182	0.885
H6	0.798	-1.182	-0.885
H7	0.144	1.213	0.884
H8	0.144	1.213	-0.884
H9	2.908	-0.693	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5130	2.7120	1.4129	1.0926	1.0926	2.1476	2.1476	1.9479
C2	1.5130		1.7823	2.3316	2.1451	2.1451	1.0847	1.0847	3.1839
Cl3	2.7120	1.7823		3.9395	2.8951	2.8951	2.3564	2.3564	4.6472
O4	1.4129	2.3316	3.9395		2.0815	2.0815	2.5853	2.5853	0.9608
H5	1.0926	2.1451	2.8951	2.0815		1.7701	2.4825	3.0486	2.3403
H6	1.0926	2.1451	2.8951	2.0815	1.7701		3.0486	2.4825	2.3403
H7	2.1476	1.0847	2.3564	2.5853	2.4825	3.0486		1.7687	3.4725
H8	2.1476	1.0847	2.3564	2.5853	3.0486	2.4825	1.7687		3.4725
H9	1.9479	3.1839	4.6472	0.9608	2.3403	2.3403	3.4725	3.4725

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.506	C1	C2	H7	110.442
C1	C2	H8	110.442	C1	O4	H9	108.789
C2	C1	O4	105.613	C2	C1	H5	109.775
C2	C1	H6	109.775	Cl3	C2	H7	108.075
Cl3	C2	H8	108.075	O4	C1	H5	111.723
O4	C1	H6	111.723	H5	C1	H6	108.210
H7	C2	H8	109.230

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

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

States and conformations

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