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	hartrees
Energy at 0K	-614.399604
Energy at 298.15K
HF Energy	-614.169349
Nuclear repulsion energy	158.998927

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3834	3834	21.39
2	A'	3133	3133	19.32
3	A'	3038	3038	42.34
4	A'	1561	1561	1.63
5	A'	1523	1523	4.57
6	A'	1488	1488	1.56
7	A'	1341	1341	0.22
8	A'	1261	1261	70.66
9	A'	1082	1082	84.68
10	A'	1043	1043	13.92
11	A'	777	777	76.80
12	A'	393	393	2.48
13	A'	252	252	10.35
14	A"	3199	3199	10.90
15	A"	3079	3079	45.17
16	A"	1334	1334	0.04
17	A"	1234	1234	0.34
18	A"	1091	1091	5.69
19	A"	821	821	0.07
20	A"	233	233	145.95
21	A"	131	131	17.90

Atom	x (Å)	y (Å)	z (Å)
C1	0.976	-0.552	0.000
C2	0.000	0.606	0.000
Cl3	-1.694	-0.004	0.000
O4	2.267	0.039	0.000
H5	0.813	-1.172	0.888
H6	0.813	-1.172	-0.888
H7	0.129	1.218	0.888
H8	0.129	1.218	-0.888
H9	2.926	-0.660	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5143	2.7261	1.4201	1.0956	1.0956	2.1541	2.1541	1.9524
C2	1.5143		1.8007	2.3368	2.1474	2.1474	1.0867	1.0867	3.1876
Cl3	2.7261	1.8007		3.9618	2.9053	2.9053	2.3682	2.3682	4.6662
O4	1.4201	2.3368	3.9618		2.0909	2.0909	2.5980	2.5980	0.9605
H5	1.0956	2.1474	2.9053	2.0909		1.7767	2.4865	3.0559	2.3483
H6	1.0956	2.1474	2.9053	2.0909	1.7767		3.0559	2.4865	2.3483
H7	2.1541	1.0867	2.3682	2.5980	2.4865	3.0559		1.7764	3.4837
H8	2.1541	1.0867	2.3682	2.5980	3.0559	2.4865	1.7764		3.4837
H9	1.9524	3.1876	4.6662	0.9605	2.3483	2.3483	3.4837	3.4837

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.342	C1	C2	H7	110.754
C1	C2	H8	110.754	C1	O4	H9	108.655
C2	C1	O4	105.518	C2	C1	H5	109.687
C2	C1	H6	109.687	Cl3	C2	H7	107.623
Cl3	C2	H8	107.623	O4	C1	H5	111.783
O4	C1	H6	111.783	H5	C1	H6	108.347
H7	C2	H8	109.643

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

using model chemistry: B2PLYP=FULLultrafine/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: B2PLYP=FULLultrafine/6-311G*

States and conformations

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