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	hartrees
Energy at 0K	-613.829890
Energy at 298.15K	-613.835847
HF Energy	-613.050340
Nuclear repulsion energy	159.651756

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3986	3986	41.04
2	A'	3160	3160	17.25
3	A'	3072	3072	34.66
4	A'	1558	1558	1.69
5	A'	1528	1528	5.09
6	A'	1506	1506	0.72
7	A'	1366	1366	0.02
8	A'	1283	1283	71.21
9	A'	1140	1140	79.89
10	A'	1065	1065	8.60
11	A'	827	827	62.07
12	A'	405	405	3.02
13	A'	257	257	9.24
14	A"	3224	3224	10.30
15	A"	3114	3114	38.41
16	A"	1346	1346	0.18
17	A"	1252	1252	0.74
18	A"	1107	1107	5.32
19	A"	828	828	0.01
20	A"	197	197	105.54
21	A"	134	134	33.37

Atom	x (Å)	y (Å)	z (Å)
C1	0.963	-0.561	0.000
C2	0.000	0.612	0.000
Cl3	-1.683	0.023	0.000
O4	2.262	-0.006	0.000
H5	0.782	-1.178	0.888
H6	0.782	-1.178	-0.888
H7	0.147	1.221	0.890
H8	0.147	1.221	-0.890
H9	2.882	-0.731	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5176	2.7102	1.4128	1.0966	1.0966	2.1527	2.1527	1.9267
C2	1.5176		1.7832	2.3450	2.1456	2.1456	1.0883	1.0883	3.1795
Cl3	2.7102	1.7832		3.9457	2.8827	2.8827	2.3612	2.3612	4.6275
O4	1.4128	2.3450	3.9457		2.0867	2.0867	2.6024	2.6024	0.9538
H5	1.0966	2.1456	2.8827	2.0867		1.7770	2.4815	3.0529	2.3239
H6	1.0966	2.1456	2.8827	2.0867	1.7770		3.0529	2.4815	2.3239
H7	2.1527	1.0883	2.3612	2.6024	2.4815	3.0529		1.7797	3.4762
H8	2.1527	1.0883	2.3612	2.6024	3.0529	2.4815	1.7797		3.4762
H9	1.9267	3.1795	4.6275	0.9538	2.3239	2.3239	3.4762	3.4762

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.122	C1	C2	H7	110.308
C1	C2	H8	110.308	C1	O4	H9	107.404
C2	C1	O4	106.245	C2	C1	H5	109.259
C2	C1	H6	109.259	Cl3	C2	H7	108.177
Cl3	C2	H8	108.177	O4	C1	H5	111.894
O4	C1	H6	111.894	H5	C1	H6	108.234
H7	C2	H8	109.696

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

using model chemistry: MP3=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: MP3=FULL/6-311G**

States and conformations

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