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	hartrees
Energy at 0K	-613.928378
Energy at 298.15K	-613.934263
HF Energy	-613.080325
Nuclear repulsion energy	159.204735

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3861	3764
2	A'	3104	3026
3	A'	3022	2946
4	A'	1535	1496
5	A'	1501	1463
6	A'	1463	1426
7	A'	1306	1273
8	A'	1241	1210
9	A'	1084	1057
10	A'	1040	1014
11	A'	786	767
12	A'	390	380
13	A'	246	240
14	A"	3168	3088
15	A"	3065	2988
16	A"	1309	1276
17	A"	1214	1183
18	A"	1065	1038
19	A"	801	781
20	A"	210	205
21	A"	126	123

Atom	x (Å)	y (Å)	z (Å)
C1	0.965	-0.555	0.000
C2	0.000	0.615	0.000
Cl3	-1.688	0.006	0.000
O4	2.269	0.015	0.000
H5	0.790	-1.171	0.888
H6	0.790	-1.171	-0.888
H7	0.133	1.227	0.889
H8	0.133	1.227	-0.889
H9	2.904	-0.704	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5164	2.7116	1.4225	1.0948	1.0948	2.1579	2.1579	1.9449
C2	1.5164		1.7939	2.3464	2.1447	2.1447	1.0872	1.0872	3.1899
Cl3	2.7116	1.7939		3.9562	2.8830	2.8830	2.3648	2.3648	4.6468
O4	1.4225	2.3464	3.9562		2.0933	2.0933	2.6114	2.6114	0.9602
H5	1.0948	2.1447	2.8830	2.0933		1.7760	2.4856	3.0554	2.3405
H6	1.0948	2.1447	2.8830	2.0933	1.7760		3.0554	2.4856	2.3405
H7	2.1579	1.0872	2.3648	2.6114	2.4856	3.0554		1.7778	3.4930
H8	2.1579	1.0872	2.3648	2.6114	3.0554	2.4856	1.7778		3.4930
H9	1.9449	3.1899	4.6468	0.9602	2.3405	2.3405	3.4930	3.4930

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	109.714	C1	C2	H7	110.872
C1	C2	H8	110.872	C1	O4	H9	107.847
C2	C1	O4	105.911	C2	C1	H5	109.376
C2	C1	H6	109.376	Cl3	C2	H7	107.795
Cl3	C2	H8	107.795	O4	C1	H5	111.858
O4	C1	H6	111.858	H5	C1	H6	108.407
H7	C2	H8	109.693

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

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

States and conformations

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