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	hartrees
Energy at 0K	-613.611551
Energy at 298.15K	-613.617545
HF Energy	-612.989008
Nuclear repulsion energy	159.758570

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3906	3650	33.96
2	A'	3193	2984	14.75
3	A'	3102	2899	34.83
4	A'	1593	1489	2.11
5	A'	1554	1452	4.72
6	A'	1503	1405	3.24
7	A'	1357	1268	1.80
8	A'	1263	1181	58.08
9	A'	1112	1039	77.75
10	A'	1067	997	15.99
11	A'	827	773	63.25
12	A'	403	377	3.07
13	A'	255	239	10.03
14	A"	3269	3055	7.61
15	A"	3158	2951	41.00
16	A"	1348	1259	0.07
17	A"	1249	1167	0.73
18	A"	1115	1042	3.47
19	A"	828	774	0.01
20	A"	235	220	132.03
21	A"	138	129	16.34

Atom	x (Å)	y (Å)	z (Å)
C1	0.960	-0.567	0.000
C2	0.000	0.600	0.000
Cl3	-1.683	0.022	0.000
O4	2.259	0.010	0.000
H5	0.786	-1.185	0.884
H6	0.786	-1.185	-0.884
H7	0.151	1.211	0.884
H8	0.151	1.211	-0.884
H9	2.900	-0.709	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5115	2.7079	1.4208	1.0930	1.0930	2.1438	2.1438	1.9449
C2	1.5115		1.7794	2.3348	2.1419	2.1419	1.0851	1.0851	3.1819
Cl3	2.7079	1.7794		3.9416	2.8872	2.8872	2.3577	2.3577	4.6407
O4	1.4208	2.3348	3.9416		2.0923	2.0923	2.5819	2.5819	0.9631
H5	1.0930	2.1419	2.8872	2.0923		1.7690	2.4782	3.0448	2.3402
H6	1.0930	2.1419	2.8872	2.0923	1.7690		3.0448	2.4782	2.3402
H7	2.1438	1.0851	2.3577	2.5819	2.4782	3.0448		1.7689	3.4673
H8	2.1438	1.0851	2.3577	2.5819	3.0448	2.4782	1.7689		3.4673
H9	1.9449	3.1819	4.6407	0.9631	2.3402	2.3402	3.4673	3.4673

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.479	C1	C2	H7	110.221
C1	C2	H8	110.221	C1	O4	H9	107.798
C2	C1	O4	105.504	C2	C1	H5	109.607
C2	C1	H6	109.607	Cl3	C2	H7	108.339
Cl3	C2	H8	108.339	O4	C1	H5	112.021
O4	C1	H6	112.021	H5	C1	H6	108.046
H7	C2	H8	109.191

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

using model chemistry: MP2=FULL/6-31G**

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/6-31G**

States and conformations

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