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	hartrees
Energy at 0K	-613.544899
Energy at 298.15K	-613.550876
HF Energy	-612.975786
Nuclear repulsion energy	159.352393

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3787	3571	36.89
2	A'	3172	2991	12.96
3	A'	3080	2904	32.40
4	A'	1594	1503	1.87
5	A'	1555	1467	5.03
6	A'	1502	1416	3.21
7	A'	1360	1283	0.67
8	A'	1269	1197	59.68
9	A'	1105	1042	76.48
10	A'	1067	1006	14.34
11	A'	823	776	65.77
12	A'	402	379	3.18
13	A'	256	242	10.74
14	A"	3244	3059	6.11
15	A"	3132	2953	39.63
16	A"	1345	1268	0.11
17	A"	1246	1175	0.58
18	A"	1118	1054	3.42
19	A"	830	783	0.01
20	A"	235	221	138.40
21	A"	136	129	18.27

Atom	x (Å)	y (Å)	z (Å)
C1	0.962	-0.568	0.000
C2	0.000	0.602	0.000
Cl3	-1.686	0.020	0.000
O4	2.262	0.015	0.000
H5	0.791	-1.189	0.889
H6	0.791	-1.189	-0.889
H7	0.151	1.215	0.889
H8	0.151	1.215	-0.889
H9	2.911	-0.707	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5146	2.7120	1.4250	1.0979	1.0979	2.1510	2.1510	1.9547
C2	1.5146		1.7833	2.3367	2.1503	2.1503	1.0899	1.0899	3.1921
Cl3	2.7120	1.7833		3.9476	2.8959	2.8959	2.3641	2.3641	4.6543
O4	1.4250	2.3367	3.9476		2.0987	2.0987	2.5858	2.5858	0.9712
H5	1.0979	2.1503	2.8959	2.0987		1.7785	2.4876	3.0576	2.3495
H6	1.0979	2.1503	2.8959	2.0987	1.7785		3.0576	2.4876	2.3495
H7	2.1510	1.0899	2.3641	2.5858	2.4876	3.0576		1.7774	3.4792
H8	2.1510	1.0899	2.3641	2.5858	3.0576	2.4876	1.7774		3.4792
H9	1.9547	3.1921	4.6543	0.9712	2.3495	2.3495	3.4792	3.4792

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.371	C1	C2	H7	110.283
C1	C2	H8	110.283	C1	O4	H9	107.818
C2	C1	O4	105.250	C2	C1	H5	109.757
C2	C1	H6	109.757	Cl3	C2	H7	108.302
Cl3	C2	H8	108.302	O4	C1	H5	111.928
O4	C1	H6	111.928	H5	C1	H6	108.188
H7	C2	H8	109.245

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

using model chemistry: MP2/6-31G*

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: MP2/6-31G*

States and conformations

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