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	hartrees
Energy at 0K	-614.003148
Energy at 298.15K
HF Energy	-613.084407
Nuclear repulsion energy	160.245601

Atom	x (Å)	y (Å)	z (Å)
C1	0.956	-0.553	0.000
C2	0.000	0.612	0.000
Cl3	-1.677	0.015	0.000
O4	2.255	0.000	0.000
H5	0.781	-1.165	0.884
H6	0.781	-1.165	-0.884
H7	0.137	1.219	0.884
H8	0.137	1.219	-0.884
H9	2.893	-0.708	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5070	2.6932	1.4117	1.0892	1.0892	2.1433	2.1433	1.9427
C2	1.5070		1.7798	2.3361	2.1325	2.1325	1.0815	1.0815	3.1795
Cl3	2.6932	1.7798		3.9313	2.8659	2.8659	2.3500	2.3500	4.6260
O4	1.4117	2.3361	3.9313		2.0760	2.0760	2.5983	2.5983	0.9534
H5	1.0892	2.1325	2.8659	2.0760		1.7689	2.4691	3.0372	2.3340
H6	1.0892	2.1325	2.8659	2.0760	1.7689		3.0372	2.4691	2.3340
H7	2.1433	1.0815	2.3500	2.5983	2.4691	3.0372		1.7686	3.4769
H8	2.1433	1.0815	2.3500	2.5983	3.0372	2.4691	1.7686		3.4769
H9	1.9427	3.1795	4.6260	0.9534	2.3340	2.3340	3.4769	3.4769

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	109.766	C1	C2	H7	110.710
C1	C2	H8	110.710	C1	O4	H9	108.904
C2	C1	O4	106.287	C2	C1	H5	109.394
C2	C1	H6	109.394	Cl3	C2	H7	107.932
Cl3	C2	H8	107.932	O4	C1	H5	111.568
O4	C1	H6	111.568	H5	C1	H6	108.582
H7	C2	H8	109.707

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

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

States and conformations

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