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	hartrees
Energy at 0K	-613.681928
Energy at 298.15K	-613.687849
HF Energy	-613.013620
Nuclear repulsion energy	158.291556

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3838	3757
2	A'	3105	3039
3	A'	3012	2949
4	A'	1522	1490
5	A'	1491	1459
6	A'	1463	1432
7	A'	1306	1278
8	A'	1239	1212
9	A'	1098	1075
10	A'	1044	1022
11	A'	786	770
12	A'	390	382
13	A'	249	243
14	A"	3174	3107
15	A"	3057	2993
16	A"	1297	1270
17	A"	1207	1181
18	A"	1059	1036
19	A"	800	783
20	A"	233	228
21	A"	131	128

Atom	x (Å)	y (Å)	z (Å)
C1	0.978	-0.559	0.000
C2	0.000	0.612	0.000
Cl3	-1.698	0.007	0.000
O4	2.277	0.021	0.000
H5	0.795	-1.187	0.898
H6	0.795	-1.187	-0.898
H7	0.141	1.235	0.899
H8	0.141	1.235	-0.899
H9	2.909	-0.710	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5259	2.7346	1.4227	1.1107	1.1107	2.1741	2.1741	1.9375
C2	1.5259		1.8022	2.3522	2.1625	2.1625	1.1025	1.1025	3.1957
Cl3	2.7346	1.8022		3.9743	2.9066	2.9066	2.3865	2.3865	4.6624
O4	1.4227	2.3522	3.9743		2.1116	2.1116	2.6159	2.6159	0.9668
H5	1.1107	2.1625	2.9066	2.1116		1.7964	2.5083	3.0858	2.3455
H6	1.1107	2.1625	2.9066	2.1116	1.7964		3.0858	2.5083	2.3455
H7	2.1741	1.1025	2.3865	2.6159	2.5083	3.0858		1.7983	3.5006
H8	2.1741	1.1025	2.3865	2.6159	3.0858	2.5083	1.7983		3.5006
H9	1.9375	3.1957	4.6624	0.9668	2.3455	2.3455	3.5006	3.5006

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.225	C1	C2	H7	110.577
C1	C2	H8	110.577	C1	O4	H9	106.802
C2	C1	O4	105.778	C2	C1	H5	109.192
C2	C1	H6	109.192	Cl3	C2	H7	108.054
Cl3	C2	H8	108.054	O4	C1	H5	112.337
O4	C1	H6	112.337	H5	C1	H6	107.936
H7	C2	H8	109.280

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

using model chemistry: CCSD(T)/cc-pVDZ

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(T)/cc-pVDZ

States and conformations

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