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	hartrees
Energy at 0K	-168.486318
Energy at 298.15K	-168.492108
HF Energy	-168.159011
Nuclear repulsion energy	106.640535

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3670	3534	13.02
2	A'	3132	3016	21.32
3	A'	3050	2937	41.35
4	A'	1557	1499	0.86
5	A'	1528	1472	5.08
6	A'	1457	1404	1.59
7	A'	1335	1286	5.30
8	A'	1235	1190	46.36
9	A'	1035	997	30.80
10	A'	966	930	59.03
11	A'	719	692	67.28
12	A'	365	351	3.86
13	A'	241	232	14.69
14	A"	3226	3107	16.63
15	A"	3118	3003	44.95
16	A"	1321	1272	0.13
17	A"	1199	1155	1.35
18	A"	1067	1028	0.96
19	A"	841	810	0.75
20	A"	219	211	184.48
21	A"	119	115	32.88

Atom	x (Å)	y (Å)	z (Å)
C1	1.010	-0.534	0.000
C2	0.000	0.627	0.000
Cl3	-1.752	-0.082	0.000
O4	2.335	0.147	0.000
H5	0.891	-1.160	0.903
H6	0.891	-1.160	-0.903
H7	0.092	1.240	0.905
H8	0.092	1.240	-0.905
H9	3.072	-0.505	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5392	2.7986	1.4901	1.1046	1.1046	2.1928	2.1928	2.0623
C2	1.5392		1.8900	2.3843	2.1912	2.1912	1.0966	1.0966	3.2744
Cl3	2.7986	1.8900		4.0936	2.9932	2.9932	2.4426	2.4426	4.8425
O4	1.4901	2.3843	4.0936		2.1467	2.1467	2.6543	2.6543	0.9841
H5	1.1046	2.1912	2.9932	2.1467		1.8051	2.5288	3.1084	2.4497
H6	1.1046	2.1912	2.9932	2.1467	1.8051		3.1084	2.5288	2.4497
H7	2.1928	1.0966	2.4426	2.6543	2.5288	3.1084		1.8101	3.5701
H8	2.1928	1.0966	2.4426	2.6543	3.1084	2.5288	1.8101		3.5701
H9	2.0623	3.2744	4.8425	0.9841	2.4497	2.4497	3.5701	3.5701

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	108.965	C1	C2	H7	111.483
C1	C2	H8	111.483	C1	O4	H9	111.278
C2	C1	O4	103.811	C2	C1	H5	110.885
C2	C1	H6	110.885	Cl3	C2	H7	106.706
Cl3	C2	H8	106.706	O4	C1	H5	110.783
O4	C1	H6	110.783	H5	C1	H6	109.596
H7	C2	H8	111.241

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

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

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