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	hartrees
Energy at 0K	-614.379362
Energy at 298.15K	-614.385308
HF Energy	-614.379362
Nuclear repulsion energy	159.585500

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3857	3701	23.29
2	A'	3121	2995	20.30
3	A'	3019	2897	45.28
4	A'	1541	1479	2.20
5	A'	1504	1444	4.84
6	A'	1477	1417	1.36
7	A'	1327	1273	0.30
8	A'	1253	1203	66.75
9	A'	1104	1059	89.67
10	A'	1046	1004	17.06
11	A'	787	755	76.06
12	A'	394	378	2.56
13	A'	249	239	10.35
14	A"	3186	3058	11.15
15	A"	3058	2935	46.83
16	A"	1322	1269	0.03
17	A"	1225	1175	0.31
18	A"	1080	1037	5.98
19	A"	811	778	0.14
20	A"	245	235	150.65
21	A"	130	125	14.42

Atom	x (Å)	y (Å)	z (Å)
C1	0.972	-0.553	0.000
C2	0.000	0.603	0.000
Cl3	-1.687	0.004	0.000
O4	2.258	0.027	0.000
H5	0.801	-1.175	0.889
H6	0.801	-1.175	-0.889
H7	0.133	1.219	0.888
H8	0.133	1.219	-0.888
H9	2.912	-0.674	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5102	2.7158	1.4109	1.0984	1.0984	2.1521	2.1521	1.9445
C2	1.5102		1.7898	2.3300	2.1435	2.1435	1.0889	1.0889	3.1802
Cl3	2.7158	1.7898		3.9443	2.8930	2.8930	2.3611	2.3611	4.6486
O4	1.4109	2.3300	3.9443		2.0874	2.0874	2.5931	2.5931	0.9595
H5	1.0984	2.1435	2.8930	2.0874		1.7781	2.4855	3.0555	2.3447
H6	1.0984	2.1435	2.8930	2.0874	1.7781		3.0555	2.4855	2.3447
H7	2.1521	1.0889	2.3611	2.5931	2.4855	3.0555		1.7764	3.4782
H8	2.1521	1.0889	2.3611	2.5931	3.0555	2.4855	1.7764		3.4782
H9	1.9445	3.1802	4.6486	0.9595	2.3447	2.3447	3.4782	3.4782

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.483	C1	C2	H7	110.754
C1	C2	H8	110.754	C1	O4	H9	108.736
C2	C1	O4	105.762	C2	C1	H5	109.501
C2	C1	H6	109.501	Cl3	C2	H7	107.715
Cl3	C2	H8	107.715	O4	C1	H5	111.979
O4	C1	H6	111.979	H5	C1	H6	108.078
H7	C2	H8	109.321

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

using model chemistry: HSEh1PBE/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	-0.199
2	C	-0.531
3	Cl	-0.094
4	O	-0.574
5	H	0.217
6	H	0.217
7	H	0.280
8	H	0.280
9	H	0.405

	x	y	z	Total
	2.020	-1.139	0.000	2.318
CHELPG
AIM
ESP

	x	y	z
x	7.164	0.201	0.000
y	0.201	4.769	0.000
z	0.000	0.000	4.089

<r²>	137.582
(<r²>)^1/2	11.730

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

using model chemistry: HSEh1PBE/6-311G*

States and conformations

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