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	hartrees
Energy at 0K	-613.728559
Energy at 298.15K	-613.734499
HF Energy	-613.003239
Nuclear repulsion energy	159.813830

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3893	3677	47.03
2	A'	3161	2986	9.77
3	A'	3076	2906	26.63
4	A'	1558	1472	2.17
5	A'	1518	1433	4.42
6	A'	1475	1393	3.33
7	A'	1317	1244	1.12
8	A'	1250	1181	46.96
9	A'	1106	1045	79.32
10	A'	1053	995	13.98
11	A'	816	771	60.86
12	A'	398	376	2.62
13	A'	248	235	8.92
14	A"	3237	3057	2.70
15	A"	3131	2957	27.85
16	A"	1320	1246	0.03
17	A"	1227	1159	0.75
18	A"	1081	1021	2.42
19	A"	809	764	0.06
20	A"	228	215	112.75
21	A"	131	124	15.62

Atom	x (Å)	y (Å)	z (Å)
C1	0.962	-0.563	0.000
C2	0.000	0.608	0.000
Cl3	-1.680	0.014	0.000
O4	2.255	0.015	0.000
H5	0.784	-1.180	0.887
H6	0.784	-1.180	-0.887
H7	0.141	1.220	0.888
H8	0.141	1.220	-0.888
H9	2.893	-0.702	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5153	2.7041	1.4157	1.0957	1.0957	2.1548	2.1548	1.9359
C2	1.5153		1.7816	2.3314	2.1447	2.1447	1.0882	1.0882	3.1757
Cl3	2.7041	1.7816		3.9344	2.8782	2.8782	2.3577	2.3577	4.6285
O4	1.4157	2.3314	3.9344		2.0925	2.0925	2.5905	2.5905	0.9598
H5	1.0957	2.1447	2.8782	2.0925		1.7749	2.4853	3.0545	2.3375
H6	1.0957	2.1447	2.8782	2.0925	1.7749		3.0545	2.4853	2.3375
H7	2.1548	1.0882	2.3577	2.5905	2.4853	3.0545		1.7768	3.4726
H8	2.1548	1.0882	2.3577	2.5905	3.0545	2.4853	1.7768		3.4726
H9	1.9359	3.1757	4.6285	0.9598	2.3375	2.3375	3.4726	3.4726

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	109.944	C1	C2	H7	110.647
C1	C2	H8	110.647	C1	O4	H9	107.609
C2	C1	O4	105.338	C2	C1	H5	109.404
C2	C1	H6	109.404	Cl3	C2	H7	108.036
Cl3	C2	H8	108.036	O4	C1	H5	112.227
O4	C1	H6	112.227	H5	C1	H6	108.177
H7	C2	H8	109.455

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

using model chemistry: MP2/6-31G(2df,p)

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(2df,p)

States and conformations

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