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	hartrees
Energy at 0K	-613.670916
Energy at 298.15K	-613.676897
HF Energy	-613.014478
Nuclear repulsion energy	158.890854

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3923	3689	40.39
2	A'	3154	2966	15.76
3	A'	3063	2881	37.77
4	A'	1542	1450	2.27
5	A'	1511	1421	5.33
6	A'	1486	1398	1.60
7	A'	1329	1249	5.21
8	A'	1258	1183	61.10
9	A'	1134	1067	79.99
10	A'	1060	997	7.60
11	A'	811	763	59.55
12	A'	399	375	2.42
13	A'	253	238	8.92
14	A"	3222	3030	9.91
15	A"	3110	2924	45.17
16	A"	1318	1239	0.00
17	A"	1227	1154	1.16
18	A"	1075	1011	3.16
19	A"	812	763	0.02
20	A"	240	225	116.99
21	A"	134	126	13.65

Atom	x (Å)	y (Å)	z (Å)
C1	0.974	-0.560	0.000
C2	0.000	0.610	0.000
Cl3	-1.692	0.014	0.000
O4	2.269	0.010	0.000
H5	0.791	-1.185	0.894
H6	0.791	-1.185	-0.894
H7	0.143	1.230	0.895
H8	0.143	1.230	-0.895
H9	2.900	-0.716	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5224	2.7264	1.4151	1.1063	1.1063	2.1672	2.1672	1.9325
C2	1.5224		1.7936	2.3468	2.1559	2.1559	1.0983	1.0983	3.1886
Cl3	2.7264	1.7936		3.9605	2.8982	2.8982	2.3764	2.3764	4.6491
O4	1.4151	2.3468	3.9605		2.1007	2.1007	2.6093	2.6093	0.9616
H5	1.1063	2.1559	2.8982	2.1007		1.7887	2.5007	3.0750	2.3386
H6	1.1063	2.1559	2.8982	2.1007	1.7887		3.0750	2.5007	2.3386
H7	2.1672	1.0983	2.3764	2.6093	2.5007	3.0750		1.7902	3.4910
H8	2.1672	1.0983	2.3764	2.6093	3.0750	2.5007	1.7902		3.4910
H9	1.9325	3.1886	4.6491	0.9616	2.3386	2.3386	3.4910	3.4910

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.344	C1	C2	H7	110.528
C1	C2	H8	110.528	C1	O4	H9	107.257
C2	C1	O4	105.998	C2	C1	H5	109.177
C2	C1	H6	109.177	Cl3	C2	H7	108.097
Cl3	C2	H8	108.097	O4	C1	H5	112.270
O4	C1	H6	112.270	H5	C1	H6	107.884
H7	C2	H8	109.175

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

using model chemistry: MP3=FULL/cc-pVDZ

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-pVDZ

States and conformations

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