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	hartrees
Energy at 0K	-613.622066
Energy at 298.15K	-613.628031
HF Energy	-613.014021
Nuclear repulsion energy	158.983164

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3860	3677	43.68
2	A'	3139	2990	15.96
3	A'	3052	2907	38.29
4	A'	1531	1459	2.07
5	A'	1499	1428	4.48
6	A'	1468	1398	1.82
7	A'	1310	1248	1.78
8	A'	1245	1186	52.46
9	A'	1109	1056	83.65
10	A'	1057	1007	9.78
11	A'	814	775	59.64
12	A'	397	379	2.61
13	A'	251	239	9.05
14	A"	3216	3063	8.31
15	A"	3107	2960	43.25
16	A"	1310	1247	0.02
17	A"	1217	1159	0.70
18	A"	1072	1021	3.16
19	A"	811	773	0.00
20	A"	236	225	114.10
21	A"	135	129	15.65

Atom	x (Å)	y (Å)	z (Å)
C1	0.969	-0.563	0.000
C2	0.000	0.608	0.000
Cl3	-1.689	0.015	0.000
O4	2.267	0.014	0.000
H5	0.785	-1.188	0.895
H6	0.785	-1.188	-0.895
H7	0.147	1.228	0.896
H8	0.147	1.228	-0.896
H9	2.898	-0.718	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5200	2.7205	1.4196	1.1073	1.1073	2.1652	2.1652	1.9344
C2	1.5200		1.7898	2.3432	2.1545	2.1545	1.0997	1.0997	3.1865
Cl3	2.7205	1.7898		3.9555	2.8928	2.8928	2.3755	2.3755	4.6448
O4	1.4196	2.3432	3.9555		2.1074	2.1074	2.6024	2.6024	0.9662
H5	1.1073	2.1545	2.8928	2.1074		1.7906	2.4989	3.0747	2.3423
H6	1.1073	2.1545	2.8928	2.1074	1.7906		3.0747	2.4989	2.3423
H7	2.1652	1.0997	2.3755	2.6024	2.4989	3.0747		1.7924	3.4869
H8	2.1652	1.0997	2.3755	2.6024	3.0747	2.4989	1.7924		3.4869
H9	1.9344	3.1865	4.6448	0.9662	2.3423	2.3423	3.4869	3.4869

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.297	C1	C2	H7	110.453
C1	C2	H8	110.453	C1	O4	H9	106.809
C2	C1	O4	105.658	C2	C1	H5	109.166
C2	C1	H6	109.166	Cl3	C2	H7	108.210
Cl3	C2	H8	108.210	O4	C1	H5	112.435
O4	C1	H6	112.435	H5	C1	H6	107.903
H7	C2	H8	109.154

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

using model chemistry: MP2/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: MP2/cc-pVDZ

States and conformations

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