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	hartrees
Energy at 0K	-613.972616
Energy at 298.15K	-613.978596
HF Energy	-613.081144
Nuclear repulsion energy	160.239344

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3967	3700	50.22
2	A'	3170	2956	13.09
3	A'	3090	2881	30.89
4	A'	1568	1463	2.96
5	A'	1532	1429	4.47
6	A'	1498	1397	1.66
7	A'	1337	1247	1.65
8	A'	1266	1181	51.56
9	A'	1132	1056	91.40
10	A'	1061	990	9.12
11	A'	815	760	59.51
12	A'	402	375	2.63
13	A'	252	235	8.86
14	A"	3214	2998	6.10
15	A"	3115	2905	27.92
16	A"	1343	1252	0.01
17	A"	1249	1165	0.87
18	A"	1089	1016	2.37
19	A"	817	762	0.02
20	A"	225	210	112.29
21	A"	136	127	17.14

Atom	x (Å)	y (Å)	z (Å)
C1	0.961	-0.552	0.000
C2	0.000	0.609	0.000
Cl3	-1.678	0.011	0.000
O4	2.255	0.008	0.000
H5	0.784	-1.163	0.881
H6	0.784	-1.163	-0.881
H7	0.135	1.217	0.882
H8	0.135	1.217	-0.882
H9	2.892	-0.701	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5076	2.6989	1.4096	1.0870	1.0870	2.1420	2.1420	1.9363
C2	1.5076		1.7819	2.3334	2.1293	2.1293	1.0794	1.0794	3.1747
Cl3	2.6989	1.7819		3.9330	2.8669	2.8669	2.3499	2.3499	4.6251
O4	1.4096	2.3334	3.9330		2.0763	2.0763	2.5941	2.5941	0.9532
H5	1.0870	2.1293	2.8669	2.0763		1.7630	2.4665	3.0322	2.3307
H6	1.0870	2.1293	2.8669	2.0763	1.7630		3.0322	2.4665	2.3307
H7	2.1420	1.0794	2.3499	2.5941	2.4665	3.0322		1.7642	3.4716
H8	2.1420	1.0794	2.3499	2.5941	3.0322	2.4665	1.7642		3.4716
H9	1.9363	3.1747	4.6251	0.9532	2.3307	2.3307	3.4716	3.4716

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	109.977	C1	C2	H7	110.695
C1	C2	H8	110.695	C1	O4	H9	108.523
C2	C1	O4	106.188	C2	C1	H5	109.223
C2	C1	H6	109.223	Cl3	C2	H7	107.886
Cl3	C2	H8	107.886	O4	C1	H5	111.888
O4	C1	H6	111.888	H5	C1	H6	108.370
H7	C2	H8	109.617

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

using model chemistry: MP3=FULL/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: MP3=FULL/cc-pVTZ

States and conformations

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