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	hartrees
Energy at 0K	-607.360533
Energy at 298.15K	-607.366271
HF Energy	-607.360533
Nuclear repulsion energy	155.684998

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3799	3355	24.86
2	A'	3395	2998	0.15
3	A'	3294	2909	7.15
4	A'	1689	1492	1.23
5	A'	1642	1450	4.54
6	A'	1616	1427	1.58
7	A'	1435	1267	0.14
8	A'	1336	1180	29.18
9	A'	1177	1039	6.95
10	A'	1096	968	2.94
11	A'	885	781	38.99
12	A'	385	340	0.67
13	A'	241	213	9.12
14	A"	3519	3108	0.04
15	A"	3397	2999	9.69
16	A"	1382	1220	0.04
17	A"	1247	1102	4.15
18	A"	1113	983	0.12
19	A"	836	738	0.35
20	A"	293	259	78.56
21	A"	96	85	8.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.991	-0.570	0.000
C2	0.000	0.624	0.000
Cl3	-1.726	0.018	0.000
O4	2.328	0.013	0.000
H5	0.797	-1.198	0.897
H6	0.797	-1.198	-0.897
H7	0.131	1.247	0.900
H8	0.131	1.247	-0.900
H9	2.909	-0.825	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5519	2.7798	1.4581	1.1121	1.1121	2.2029	2.2029	1.9348
C2	1.5519		1.8290	2.4065	2.1817	2.1817	1.1028	1.1028	3.2501
Cl3	2.7798	1.8290		4.0533	2.9404	2.9404	2.4023	2.4023	4.7108
O4	1.4581	2.4065	4.0533		2.1484	2.1484	2.6752	2.6752	1.0201
H5	1.1121	2.1817	2.9404	2.1484		1.7937	2.5346	3.1070	2.3251
H6	1.1121	2.1817	2.9404	2.1484	1.7937		3.1070	2.5346	2.3251
H7	2.2029	1.1028	2.4023	2.6752	2.5346	3.1070		1.8003	3.5806
H8	2.2029	1.1028	2.4023	2.6752	3.1070	2.5346	1.8003		3.5806
H9	1.9348	3.2501	4.7108	1.0201	2.3251	2.3251	3.5806	3.5806

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.344	C1	C2	H7	111.025
C1	C2	H8	111.025	C1	O4	H9	101.175
C2	C1	O4	106.120	C2	C1	H5	108.840
C2	C1	H6	108.840	Cl3	C2	H7	107.449
Cl3	C2	H8	107.449	O4	C1	H5	112.720
O4	C1	H6	112.720	H5	C1	H6	107.496
H7	C2	H8	109.417

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

using model chemistry: HSEh1PBE/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	-0.055
2	C	-0.107
3	Cl	-0.166
4	O	-0.246
5	H	0.081
6	H	0.081
7	H	0.116
8	H	0.116
9	H	0.181

	x	y	z	Total
	2.051	-0.734	0.000	2.178
CHELPG
AIM
ESP

	x	y	z
x	4.139	0.151	0.000
y	0.151	2.118	0.000
z	0.000	0.000	1.654

<r²>	142.121
(<r²>)^1/2	11.921

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

using model chemistry: HSEh1PBE/STO-3G

States and conformations

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