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	hartrees
Energy at 0K	-613.824674
Energy at 298.15K	-613.830547
HF Energy	-613.063777
Nuclear repulsion energy	159.106735

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3896	3691	33.50
2	A'	3144	2979	16.17
3	A'	3060	2899	34.54
4	A'	1557	1475	1.86
5	A'	1528	1448	5.08
6	A'	1498	1419	0.63
7	A'	1351	1280	2.41
8	A'	1267	1200	62.14
9	A'	1103	1045	89.25
10	A'	1051	996	5.33
11	A'	801	759	63.05
12	A'	397	376	2.90
13	A'	255	242	10.34
14	A"	3212	3043	8.81
15	A"	3103	2940	33.78
16	A"	1334	1264	0.03
17	A"	1241	1176	1.13
18	A"	1094	1036	2.28
19	A"	828	785	0.12
20	A"	181	172	87.50
21	A"	117	110	56.84

Atom	x (Å)	y (Å)	z (Å)
C1	0.968	-0.549	0.000
C2	0.000	0.615	0.000
Cl3	-1.691	0.003	0.000
O4	2.272	0.018	0.000
H5	0.800	-1.165	0.887
H6	0.800	-1.165	-0.887
H7	0.132	1.224	0.889
H8	0.132	1.224	-0.889
H9	2.905	-0.703	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5136	2.7162	1.4211	1.0935	1.0935	2.1519	2.1519	1.9431
C2	1.5136		1.7987	2.3486	2.1437	2.1437	1.0856	1.0856	3.1902
Cl3	2.7162	1.7987		3.9629	2.8909	2.8909	2.3677	2.3677	4.6504
O4	1.4211	2.3486	3.9629		2.0864	2.0864	2.6117	2.6117	0.9601
H5	1.0935	2.1437	2.8909	2.0864		1.7747	2.4804	3.0509	2.3309
H6	1.0935	2.1437	2.8909	2.0864	1.7747		3.0509	2.4804	2.3309
H7	2.1519	1.0856	2.3677	2.6117	2.4804	3.0509		1.7781	3.4919
H8	2.1519	1.0856	2.3677	2.6117	3.0509	2.4804	1.7781		3.4919
H9	1.9431	3.1902	4.6504	0.9601	2.3309	2.3309	3.4919	3.4919

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	109.874	C1	C2	H7	110.686
C1	C2	H8	110.686	C1	O4	H9	107.800
C2	C1	O4	106.268	C2	C1	H5	109.562
C2	C1	H6	109.562	Cl3	C2	H7	107.773
Cl3	C2	H8	107.773	O4	C1	H5	111.472
O4	C1	H6	111.472	H5	C1	H6	108.473
H7	C2	H8	109.960

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

using model chemistry: CCSD=FULL/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=FULL/TZVP

States and conformations

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