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	hartrees
Energy at 0K	-613.968868
Energy at 298.15K	-613.974792
HF Energy	-613.083831
Nuclear repulsion energy	160.401933

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3866	3678	54.13
2	A'	3143	2990	11.78
3	A'	3071	2921	27.75
4	A'	1549	1474	3.23
5	A'	1521	1447	4.24
6	A'	1463	1392	1.79
7	A'	1308	1244	0.81
8	A'	1244	1183	36.41
9	A'	1083	1030	106.29
10	A'	1054	1003	5.88
11	A'	816	776	57.75
12	A'	400	381	3.25
13	A'	250	238	8.95
14	A"	3198	3043	2.52
15	A"	3114	2962	18.72
16	A"	1330	1265	0.12
17	A"	1229	1169	0.26
18	A"	1079	1026	1.71
19	A"	809	770	0.11
20	A"	210	200	101.85
21	A"	127	121	22.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.948	-0.557	0.000
C2	0.000	0.610	0.000
Cl3	-1.672	0.017	0.000
O4	2.252	0.001	0.000
H5	0.773	-1.168	0.886
H6	0.773	-1.168	-0.886
H7	0.142	1.217	0.886
H8	0.142	1.217	-0.886
H9	2.891	-0.715	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5037	2.6818	1.4187	1.0899	1.0899	2.1408	2.1408	1.9493
C2	1.5037		1.7739	2.3326	2.1311	2.1311	1.0831	1.0831	3.1799
Cl3	2.6818	1.7739		3.9236	2.8570	2.8570	2.3483	2.3483	4.6209
O4	1.4187	2.3326	3.9236		2.0832	2.0832	2.5912	2.5912	0.9600
H5	1.0899	2.1311	2.8570	2.0832		1.7718	2.4668	3.0370	2.3402
H6	1.0899	2.1311	2.8570	2.0832	1.7718		3.0370	2.4668	2.3402
H7	2.1408	1.0831	2.3483	2.5912	2.4668	3.0370		1.7712	3.4748
H8	2.1408	1.0831	2.3483	2.5912	3.0370	2.4668	1.7712		3.4748
H9	1.9493	3.1799	4.6209	0.9600	2.3402	2.3402	3.4748	3.4748

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	109.539	C1	C2	H7	110.653
C1	C2	H8	110.653	C1	O4	H9	108.531
C2	C1	O4	105.877	C2	C1	H5	109.469
C2	C1	H6	109.469	Cl3	C2	H7	108.110
Cl3	C2	H8	108.110	O4	C1	H5	111.613
O4	C1	H6	111.613	H5	C1	H6	108.745
H7	C2	H8	109.703

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

using model chemistry: MP2=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: MP2=FULL/aug-cc-pVTZ

States and conformations

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