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	hartrees
Energy at 0K	-606.131703
Energy at 298.15K	-606.137697
HF Energy	-606.131703
Nuclear repulsion energy	157.063586

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4238	3461	16.64
2	A'	3620	2956	0.38
3	A'	3556	2904	2.55
4	A'	1829	1493	0.48
5	A'	1788	1460	7.39
6	A'	1756	1434	3.17
7	A'	1583	1293	0.41
8	A'	1466	1197	55.14
9	A'	1322	1080	3.24
10	A'	1186	968	2.41
11	A'	961	785	53.19
12	A'	420	343	0.44
13	A'	266	217	10.47
14	A"	3748	3060	0.34
15	A"	3670	2996	5.67
16	A"	1507	1231	0.02
17	A"	1370	1118	8.86
18	A"	1214	991	0.28
19	A"	902	737	0.09
20	A"	327	267	90.48
21	A"	110	90	8.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.986	-0.571	0.000
C2	0.000	0.621	0.000
Cl3	-1.715	0.031	0.000
O4	2.308	-0.014	0.000
H5	0.802	-1.191	0.886
H6	0.802	-1.191	-0.886
H7	0.137	1.238	0.889
H8	0.137	1.238	-0.889
H9	2.899	-0.808	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5473	2.7667	1.4347	1.0967	1.0967	2.1870	2.1870	1.9282
C2	1.5473		1.8136	2.3933	2.1709	2.1709	1.0901	1.0901	3.2324
Cl3	2.7667	1.8136		4.0225	2.9348	2.9348	2.3819	2.3819	4.6896
O4	1.4347	2.3933	4.0225		2.1063	2.1063	2.6588	2.6588	0.9904
H5	1.0967	2.1709	2.9348	2.1063		1.7725	2.5179	3.0807	2.3086
H6	1.0967	2.1709	2.9348	2.1063	1.7725		3.0807	2.5179	2.3086
H7	2.1870	1.0901	2.3819	2.6588	2.5179	3.0807		1.7777	3.5506
H8	2.1870	1.0901	2.3819	2.6588	3.0807	2.5179	1.7777		3.5506
H9	1.9282	3.2324	4.6896	0.9904	2.3086	2.3086	3.5506	3.5506

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.570	C1	C2	H7	110.851
C1	C2	H8	110.851	C1	O4	H9	103.819
C2	C1	O4	106.701	C2	C1	H5	109.198
C2	C1	H6	109.198	Cl3	C2	H7	107.606
Cl3	C2	H8	107.606	O4	C1	H5	111.938
O4	C1	H6	111.938	H5	C1	H6	107.822
H7	C2	H8	109.244

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

using model chemistry: HF/STO-3G

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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Number	Element	Mulliken
1	C	0.011
2	C	-0.057
3	Cl	-0.187
4	O	-0.284
5	H	0.065
6	H	0.065
7	H	0.101
8	H	0.101
9	H	0.184

	x	y	z	Total
	2.112	-0.795	0.000	2.256
CHELPG
AIM
ESP

<r²>	140.732
(<r²>)^1/2	11.863

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

using model chemistry: HF/STO-3G

States and conformations

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