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	hartrees
Energy at 0K	-613.038173
Energy at 298.15K	-613.044313
HF Energy	-613.038173
Nuclear repulsion energy	159.871032

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4176	3777	46.68
2	A'	3282	2968	26.77
3	A'	3190	2885	49.18
4	A'	1672	1513	1.71
5	A'	1636	1480	8.37
6	A'	1603	1450	2.78
7	A'	1440	1303	1.35
8	A'	1347	1218	119.00
9	A'	1189	1076	93.58
10	A'	1098	993	9.01
11	A'	815	737	112.74
12	A'	416	377	1.42
13	A'	269	244	11.32
14	A"	3347	3027	17.42
15	A"	3226	2918	59.29
16	A"	1432	1295	0.43
17	A"	1331	1204	2.07
18	A"	1168	1057	5.68
19	A"	865	783	0.05
20	A"	274	248	171.83
21	A"	142	128	13.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.980	-0.546	0.000
C2	0.000	0.607	0.000
Cl3	-1.689	-0.005	0.000
O4	2.254	0.031	0.000
H5	0.824	-1.163	0.880
H6	0.824	-1.163	-0.880
H7	0.120	1.216	0.880
H8	0.120	1.216	-0.880
H9	2.917	-0.634	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5130	2.7230	1.3994	1.0859	1.0859	2.1493	2.1493	1.9393
C2	1.5130		1.7965	2.3265	2.1412	2.1412	1.0771	1.0771	3.1700
Cl3	2.7230	1.7965		3.9435	2.9033	2.9033	2.3530	2.3530	4.6488
O4	1.3994	2.3265	3.9435		2.0610	2.0610	2.5951	2.5951	0.9393
H5	1.0859	2.1412	2.9033	2.0610		1.7600	2.4808	3.0419	2.3315
H6	1.0859	2.1412	2.9033	2.0610	1.7600		3.0419	2.4808	2.3315
H7	2.1493	1.0771	2.3530	2.5951	2.4808	3.0419		1.7607	3.4674
H8	2.1493	1.0771	2.3530	2.5951	3.0419	2.4808	1.7607		3.4674
H9	1.9393	3.1700	4.6488	0.9393	2.3315	2.3315	3.4674	3.4674

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.439	C1	C2	H7	111.041
C1	C2	H8	111.041	C1	O4	H9	110.490
C2	C1	O4	105.969	C2	C1	H5	109.869
C2	C1	H6	109.869	Cl3	C2	H7	107.273
Cl3	C2	H8	107.273	O4	C1	H5	111.423
O4	C1	H6	111.423	H5	C1	H6	108.277
H7	C2	H8	109.631

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

using model chemistry: HF/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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Number	Element	Mulliken
1	C	-0.093
2	C	-0.452
3	Cl	-0.149
4	O	-0.671
5	H	0.201
6	H	0.201
7	H	0.266
8	H	0.266
9	H	0.429

	x	y	z	Total
	2.177	-1.156	0.000	2.465
CHELPG
AIM
ESP

	x	y	z
x	6.774	0.295	0.000
y	0.295	4.428	0.000
z	0.000	0.000	3.861

<r²>	137.806
(<r²>)^1/2	11.739

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

using model chemistry: HF/6-311G*

States and conformations

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