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	hartrees
Energy at 0K	-613.745289
Energy at 298.15K	-613.751155
HF Energy	-613.063705
Nuclear repulsion energy	159.005660

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3893	3716	33.18
2	A'	3144	3000	16.31
3	A'	3060	2921	34.66
4	A'	1556	1485	1.81
5	A'	1528	1458	5.03
6	A'	1497	1428	0.69
7	A'	1349	1288	2.29
8	A'	1266	1209	62.64
9	A'	1100	1050	89.18
10	A'	1050	1002	5.16
11	A'	798	762	63.46
12	A'	396	378	2.83
13	A'	255	243	10.37
14	A"	3212	3065	9.03
15	A"	3104	2962	34.00
16	A"	1332	1271	0.03
17	A"	1240	1183	1.16
18	A"	1093	1043	2.24
19	A"	828	790	0.13
20	A"	180	172	85.44
21	A"	116	110	58.55

Atom	x (Å)	y (Å)	z (Å)
C1	0.969	-0.549	0.000
C2	0.000	0.615	0.000
Cl3	-1.692	0.002	0.000
O4	2.273	0.020	0.000
H5	0.801	-1.166	0.888
H6	0.801	-1.166	-0.888
H7	0.132	1.224	0.890
H8	0.132	1.224	-0.890
H9	2.907	-0.702	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5146	2.7178	1.4222	1.0942	1.0942	2.1534	2.1534	1.9436
C2	1.5146		1.8002	2.3496	2.1452	2.1452	1.0863	1.0863	3.1912
Cl3	2.7178	1.8002		3.9652	2.8928	2.8928	2.3694	2.3694	4.6525
O4	1.4222	2.3496	3.9652		2.0878	2.0878	2.6131	2.6131	0.9603
H5	1.0942	2.1452	2.8928	2.0878		1.7761	2.4820	3.0530	2.3317
H6	1.0942	2.1452	2.8928	2.0878	1.7761		3.0530	2.4820	2.3317
H7	2.1534	1.0863	2.3694	2.6131	2.4820	3.0530		1.7795	3.4933
H8	2.1534	1.0863	2.3694	2.6131	3.0530	2.4820	1.7795		3.4933
H9	1.9436	3.1912	4.6525	0.9603	2.3317	2.3317	3.4933	3.4933

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	109.851	C1	C2	H7	110.696
C1	C2	H8	110.696	C1	O4	H9	107.757
C2	C1	O4	106.231	C2	C1	H5	109.573
C2	C1	H6	109.573	Cl3	C2	H7	107.763
Cl3	C2	H8	107.763	O4	C1	H5	111.466
O4	C1	H6	111.466	H5	C1	H6	108.498
H7	C2	H8	109.980

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

using model chemistry: CCSD/TZVP

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/TZVP

States and conformations

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