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	hartrees
Energy at 0K	-614.326001
Energy at 298.15K	-614.331897
HF Energy	-614.326001
Nuclear repulsion energy	159.480715

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3896	3718	34.00
2	A'	3127	2984	15.28
3	A'	3021	2883	40.19
4	A'	1541	1470	2.72
5	A'	1504	1435	5.34
6	A'	1469	1402	2.36
7	A'	1314	1254	0.99
8	A'	1242	1185	56.08
9	A'	1118	1067	86.11
10	A'	1041	994	20.42
11	A'	794	758	70.63
12	A'	395	377	2.07
13	A'	249	238	10.00
14	A"	3197	3051	7.23
15	A"	3064	2924	45.42
16	A"	1311	1251	0.09
17	A"	1218	1162	0.74
18	A"	1074	1025	3.44
19	A"	807	770	0.12
20	A"	217	207	128.53
21	A"	128	122	17.93

Atom	x (Å)	y (Å)	z (Å)
C1	0.972	-0.557	0.000
C2	0.000	0.605	0.000
Cl3	-1.687	0.011	0.000
O4	2.260	0.017	0.000
H5	0.791	-1.180	0.888
H6	0.791	-1.180	-0.888
H7	0.138	1.222	0.889
H8	0.138	1.222	-0.889
H9	2.905	-0.696	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5148	2.7181	1.4102	1.1001	1.1001	2.1565	2.1565	1.9390
C2	1.5148		1.7883	2.3354	2.1455	2.1455	1.0909	1.0909	3.1836
Cl3	2.7181	1.7883		3.9465	2.8892	2.8892	2.3638	2.3638	4.6462
O4	1.4102	2.3354	3.9465		2.0923	2.0923	2.5973	2.5973	0.9615
H5	1.1001	2.1455	2.8892	2.0923		1.7769	2.4895	3.0589	2.3439
H6	1.1001	2.1455	2.8892	2.0923	1.7769		3.0589	2.4895	2.3439
H7	2.1565	1.0909	2.3638	2.5973	2.4895	3.0589		1.7780	3.4826
H8	2.1565	1.0909	2.3638	2.5973	3.0589	2.4895	1.7780		3.4826
H9	1.9390	3.1836	4.6462	0.9615	2.3439	2.3439	3.4826	3.4826

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.478	C1	C2	H7	110.651
C1	C2	H8	110.651	C1	O4	H9	108.188
C2	C1	O4	105.900	C2	C1	H5	109.239
C2	C1	H6	109.239	Cl3	C2	H7	107.906
Cl3	C2	H8	107.906	O4	C1	H5	112.336
O4	C1	H6	112.336	H5	C1	H6	107.732
H7	C2	H8	109.160

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

using model chemistry: HSEh1PBE/6-31G**

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	0.014
2	C	-0.361
3	Cl	-0.073
4	O	-0.549
5	H	0.128
6	H	0.128
7	H	0.192
8	H	0.192
9	H	0.328

	x	y	z	Total
	1.917	-1.007	0.000	2.166
CHELPG
AIM
ESP

	x	y	z
x	6.808	0.152	0.000
y	0.152	4.575	0.000
z	0.000	0.000	4.076

<r²>	137.358
(<r²>)^1/2	11.720

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

using model chemistry: HSEh1PBE/6-31G**

States and conformations

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