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	hartrees
Energy at 0K	-613.645051
Energy at 298.15K	-613.651060
HF Energy	-612.989393
Nuclear repulsion energy	159.626037

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3968	3968	31.16
2	A'	3208	3208	15.35
3	A'	3115	3115	34.93
4	A'	1602	1602	2.16
5	A'	1563	1563	5.06
6	A'	1520	1520	3.43
7	A'	1370	1370	1.12
8	A'	1276	1276	70.54
9	A'	1135	1135	76.90
10	A'	1070	1070	11.48
11	A'	826	826	63.12
12	A'	405	405	2.90
13	A'	257	257	9.94
14	A"	3278	3278	9.45
15	A"	3163	3163	43.12
16	A"	1354	1354	0.03
17	A"	1258	1258	1.18
18	A"	1118	1118	3.46
19	A"	828	828	0.04
20	A"	240	240	135.12
21	A"	137	137	14.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.964	-0.564	0.000
C2	0.000	0.603	0.000
Cl3	-1.686	0.021	0.000
O4	2.261	0.008	0.000
H5	0.791	-1.182	0.884
H6	0.791	-1.182	-0.884
H7	0.148	1.213	0.884
H8	0.148	1.213	-0.884
H9	2.903	-0.705	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5144	2.7138	1.4177	1.0918	1.0918	2.1462	2.1462	1.9438
C2	1.5144		1.7837	2.3386	2.1434	2.1434	1.0836	1.0836	3.1842
Cl3	2.7138	1.7837		3.9473	2.8920	2.8920	2.3589	2.3589	4.6457
O4	1.4177	2.3386	3.9473		2.0872	2.0872	2.5887	2.5887	0.9588
H5	1.0918	2.1434	2.8920	2.0872		1.7676	2.4797	3.0451	2.3380
H6	1.0918	2.1434	2.8920	2.0872	1.7676		3.0451	2.4797	2.3380
H7	2.1462	1.0836	2.3589	2.5887	2.4797	3.0451		1.7674	3.4714
H8	2.1462	1.0836	2.3589	2.5887	3.0451	2.4797	1.7674		3.4714
H9	1.9438	3.1842	4.6457	0.9588	2.3380	2.3380	3.4714	3.4714

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.474	C1	C2	H7	110.299
C1	C2	H8	110.299	C1	O4	H9	108.198
C2	C1	O4	105.754	C2	C1	H5	109.590
C2	C1	H6	109.590	Cl3	C2	H7	108.219
Cl3	C2	H8	108.219	O4	C1	H5	111.894
O4	C1	H6	111.894	H5	C1	H6	108.088
H7	C2	H8	109.272

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

using model chemistry: MP3=FULL/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: MP3=FULL/6-31G**

States and conformations

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