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	hartrees
Energy at 0K	-613.004351
Energy at 298.15K	-613.010439
HF Energy	-613.004351
Nuclear repulsion energy	159.998438

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4188	3792	67.99
2	A'	3257	2949	19.94
3	A'	3163	2864	39.31
4	A'	1655	1499	2.01
5	A'	1621	1468	8.17
6	A'	1588	1438	4.35
7	A'	1416	1282	2.91
8	A'	1330	1205	88.79
9	A'	1191	1078	93.10
10	A'	1089	986	9.46
11	A'	821	743	97.79
12	A'	416	377	1.07
13	A'	268	243	9.61
14	A"	3324	3010	10.02
15	A"	3202	2899	47.94
16	A"	1413	1280	0.01
17	A"	1316	1191	2.43
18	A"	1151	1042	2.45
19	A"	854	773	0.01
20	A"	243	220	130.29
21	A"	140	126	13.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.975	-0.551	0.000
C2	0.000	0.610	0.000
Cl3	-1.686	0.006	0.000
O4	2.254	0.013	0.000
H5	0.808	-1.167	0.880
H6	0.808	-1.167	-0.880
H7	0.125	1.220	0.881
H8	0.125	1.220	-0.881
H9	2.903	-0.667	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5160	2.7184	1.3975	1.0874	1.0874	2.1526	2.1526	1.9313
C2	1.5160		1.7904	2.3320	2.1415	2.1415	1.0789	1.0789	3.1716
Cl3	2.7184	1.7904		3.9398	2.8932	2.8932	2.3509	2.3509	4.6378
O4	1.3975	2.3320	3.9398		2.0632	2.0632	2.6015	2.6015	0.9398
H5	1.0874	2.1415	2.8932	2.0632		1.7603	2.4825	3.0440	2.3264
H6	1.0874	2.1415	2.8932	2.0632	1.7603		3.0440	2.4825	2.3264
H7	2.1526	1.0789	2.3509	2.6015	2.4825	3.0440		1.7628	3.4721
H8	2.1526	1.0789	2.3509	2.6015	3.0440	2.4825	1.7628		3.4721
H9	1.9313	3.1716	4.6378	0.9398	2.3264	2.3264	3.4721	3.4721

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.330	C1	C2	H7	110.986
C1	C2	H8	110.986	C1	O4	H9	109.890
C2	C1	O4	106.266	C2	C1	H5	109.586
C2	C1	H6	109.586	Cl3	C2	H7	107.425
Cl3	C2	H8	107.425	O4	C1	H5	111.651
O4	C1	H6	111.651	H5	C1	H6	108.079
H7	C2	H8	109.560

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

using model chemistry: HF/6-31G(2df,p)

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	0.013
2	C	-0.212
3	Cl	-0.193
4	O	-0.570
5	H	0.130
6	H	0.130
7	H	0.184
8	H	0.184
9	H	0.336

	x	y	z	Total
	1.986	-0.959	0.000	2.205
CHELPG
AIM
ESP

	x	y	z
x	6.891	0.148	0.000
y	0.148	4.807	0.000
z	0.000	0.000	4.437

<r²>	137.189
(<r²>)^1/2	11.713

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

using model chemistry: HF/6-31G(2df,p)

States and conformations

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