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	hartrees
Energy at 0K	-613.750460
Energy at 298.15K	-613.756436
HF Energy	-613.036906
Nuclear repulsion energy	159.739440

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3863	3658	29.70
2	A'	3148	2982	16.57
3	A'	3064	2902	36.71
4	A'	1569	1486	1.58
5	A'	1529	1448	5.22
6	A'	1497	1418	1.20
7	A'	1357	1285	0.28
8	A'	1270	1203	67.07
9	A'	1109	1051	82.79
10	A'	1064	1008	11.22
11	A'	821	778	66.83
12	A'	403	382	3.79
13	A'	257	243	10.39
14	A"	3222	3052	7.78
15	A"	3117	2952	37.71
16	A"	1345	1274	0.04
17	A"	1246	1180	0.27
18	A"	1108	1049	5.71
19	A"	827	783	0.06
20	A"	222	210	142.29
21	A"	137	130	26.26

Atom	x (Å)	y (Å)	z (Å)
C1	0.960	-0.562	0.000
C2	0.000	0.606	0.000
Cl3	-1.682	0.017	0.000
O4	2.257	0.010	0.000
H5	0.787	-1.180	0.889
H6	0.787	-1.180	-0.889
H7	0.147	1.215	0.890
H8	0.147	1.215	-0.890
H9	2.903	-0.700	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5121	2.7050	1.4177	1.0965	1.0965	2.1480	2.1480	1.9475
C2	1.5121		1.7820	2.3344	2.1442	2.1442	1.0885	1.0885	3.1830
Cl3	2.7050	1.7820		3.9391	2.8840	2.8840	2.3604	2.3604	4.6405
O4	1.4177	2.3344	3.9391		2.0903	2.0903	2.5881	2.5881	0.9598
H5	1.0965	2.1442	2.8840	2.0903		1.7786	2.4793	3.0515	2.3450
H6	1.0965	2.1442	2.8840	2.0903	1.7786		3.0515	2.4793	2.3450
H7	2.1480	1.0885	2.3604	2.5881	2.4793	3.0515		1.7794	3.4723
H8	2.1480	1.0885	2.3604	2.5881	3.0515	2.4793	1.7794		3.4723
H9	1.9475	3.1830	4.6405	0.9598	2.3450	2.3450	3.4723	3.4723

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.137	C1	C2	H7	110.310
C1	C2	H8	110.310	C1	O4	H9	108.457
C2	C1	O4	105.609	C2	C1	H5	109.541
C2	C1	H6	109.541	Cl3	C2	H7	108.196
Cl3	C2	H8	108.196	O4	C1	H5	111.852
O4	C1	H6	111.852	H5	C1	H6	108.398
H7	C2	H8	109.638

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

using model chemistry: MP2=FULL/6-311G*

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/6-311G*

States and conformations

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