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	hartrees
Energy at 0K	-614.332700
Energy at 298.15K	-614.338551
HF Energy	-614.126215
Nuclear repulsion energy	158.785162

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3867	3677	42.84
2	A'	3147	2993	14.58
3	A'	3064	2914	37.38
4	A'	1553	1477	2.03
5	A'	1521	1446	4.69
6	A'	1465	1393	1.91
7	A'	1325	1260	4.23
8	A'	1236	1175	50.79
9	A'	1069	1017	102.81
10	A'	1035	984	8.99
11	A'	780	741	73.61
12	A'	393	373	2.44
13	A'	251	239	11.01
14	A"	3217	3060	5.49
15	A"	3113	2960	31.31
16	A"	1320	1256	0.04
17	A"	1222	1162	0.40
18	A"	1084	1031	2.59
19	A"	814	774	0.04
20	A"	197	187	122.01
21	A"	120	114	34.87

Atom	x (Å)	y (Å)	z (Å)
C1	0.970	-0.557	0.000
C2	0.000	0.609	0.000
Cl3	-1.695	0.004	0.000
O4	2.273	0.025	0.000
H5	0.808	-1.174	0.889
H6	0.808	-1.174	-0.889
H7	0.133	1.221	0.889
H8	0.133	1.221	-0.889
H9	2.933	-0.678	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5168	2.7232	1.4271	1.0945	1.0945	2.1571	2.1571	1.9674
C2	1.5168		1.7998	2.3468	2.1507	2.1507	1.0874	1.0874	3.2032
Cl3	2.7232	1.7998		3.9680	2.9063	2.9063	2.3693	2.3693	4.6784
O4	1.4271	2.3468	3.9680		2.0912	2.0912	2.6079	2.6079	0.9641
H5	1.0945	2.1507	2.9063	2.0912		1.7785	2.4891	3.0590	2.3566
H6	1.0945	2.1507	2.9063	2.0912	1.7785		3.0590	2.4891	2.3566
H7	2.1571	1.0874	2.3693	2.6079	2.4891	3.0590		1.7776	3.4983
H8	2.1571	1.0874	2.3693	2.6079	3.0590	2.4891	1.7776		3.4983
H9	1.9674	3.2032	4.6784	0.9641	2.3566	2.3566	3.4983	3.4983

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.097	C1	C2	H7	110.775
C1	C2	H8	110.775	C1	O4	H9	109.190
C2	C1	O4	105.685	C2	C1	H5	109.843
C2	C1	H6	109.843	Cl3	C2	H7	107.725
Cl3	C2	H8	107.725	O4	C1	H5	111.380
O4	C1	H6	111.380	H5	C1	H6	108.679
H7	C2	H8	109.645

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

using model chemistry: B2PLYP=FULL/6-31+G**

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: B2PLYP=FULL/6-31+G**

States and conformations

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