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	hartrees
Energy at 0K	-613.974655
Energy at 298.15K	-613.980627
HF Energy	-613.081010
Nuclear repulsion energy	160.106377

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3924	3720	43.31
2	A'	3146	2983	14.33
3	A'	3068	2908	31.96
4	A'	1564	1483	2.70
5	A'	1530	1451	4.37
6	A'	1493	1416	1.72
7	A'	1333	1264	1.09
8	A'	1262	1197	50.90
9	A'	1119	1061	92.27
10	A'	1059	1004	7.88
11	A'	808	766	60.67
12	A'	400	379	2.50
13	A'	251	238	8.78
14	A"	3190	3024	6.99
15	A"	3091	2931	28.78
16	A"	1339	1269	0.01
17	A"	1245	1180	0.81
18	A"	1087	1031	2.32
19	A"	816	774	0.01
20	A"	225	213	110.23
21	A"	136	129	17.43

Atom	x (Å)	y (Å)	z (Å)
C1	0.961	-0.553	0.000
C2	0.000	0.609	0.000
Cl3	-1.680	0.010	0.000
O4	2.256	0.012	0.000
H5	0.786	-1.165	0.883
H6	0.786	-1.165	-0.883
H7	0.135	1.217	0.883
H8	0.135	1.217	-0.883
H9	2.895	-0.698	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5074	2.7000	1.4122	1.0885	1.0885	2.1431	2.1431	1.9394
C2	1.5074		1.7832	2.3334	2.1314	2.1314	1.0810	1.0810	3.1765
Cl3	2.7000	1.7832		3.9354	2.8705	2.8705	2.3520	2.3520	4.6292
O4	1.4122	2.3334	3.9354		2.0792	2.0792	2.5939	2.5939	0.9556
H5	1.0885	2.1314	2.8705	2.0792		1.7658	2.4690	3.0357	2.3332
H6	1.0885	2.1314	2.8705	2.0792	1.7658		3.0357	2.4690	2.3332
H7	2.1431	1.0810	2.3520	2.5939	2.4690	3.0357		1.7666	3.4734
H8	2.1431	1.0810	2.3520	2.5939	3.0357	2.4690	1.7666		3.4734
H9	1.9394	3.1765	4.6292	0.9556	2.3332	2.3332	3.4734	3.4734

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	109.992	C1	C2	H7	110.706
C1	C2	H8	110.706	C1	O4	H9	108.435
C2	C1	O4	106.062	C2	C1	H5	109.317
C2	C1	H6	109.317	Cl3	C2	H7	107.879
Cl3	C2	H8	107.879	O4	C1	H5	111.839
O4	C1	H6	111.839	H5	C1	H6	108.410
H7	C2	H8	109.591

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

using model chemistry: CCSD=FULL/cc-pVTZ

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: CCSD=FULL/cc-pVTZ

States and conformations

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