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	hartrees
Energy at 0K	-613.731442
Energy at 298.15K	-613.737367
HF Energy	-613.049981
Nuclear repulsion energy	159.230202

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3926	3746	34.74
2	A'	3126	2982	18.64
3	A'	3038	2899	36.37
4	A'	1551	1480	1.37
5	A'	1522	1452	4.80
6	A'	1496	1427	1.01
7	A'	1354	1292	0.26
8	A'	1274	1215	69.62
9	A'	1115	1064	81.48
10	A'	1056	1008	7.21
11	A'	809	772	64.97
12	A'	400	381	2.68
13	A'	256	244	9.22
14	A"	3190	3043	11.40
15	A"	3080	2938	39.74
16	A"	1335	1274	0.13
17	A"	1242	1185	0.70
18	A"	1100	1050	5.12
19	A"	825	787	0.03
20	A"	194	185	100.80
21	A"	131	125	35.67

Atom	x (Å)	y (Å)	z (Å)
C1	0.966	-0.562	0.000
C2	0.000	0.612	0.000
Cl3	-1.688	0.018	0.000
O4	2.267	0.003	0.000
H5	0.789	-1.180	0.891
H6	0.789	-1.180	-0.891
H7	0.144	1.222	0.892
H8	0.144	1.222	-0.892
H9	2.891	-0.723	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5199	2.7166	1.4186	1.0989	1.0989	2.1574	2.1574	1.9320
C2	1.5199		1.7891	2.3477	2.1507	2.1507	1.0907	1.0907	3.1846
Cl3	2.7166	1.7891		3.9554	2.8917	2.8917	2.3669	2.3669	4.6388
O4	1.4186	2.3477	3.9554		2.0930	2.0930	2.6059	2.6059	0.9574
H5	1.0989	2.1507	2.8917	2.0930		1.7818	2.4873	3.0603	2.3290
H6	1.0989	2.1507	2.8917	2.0930	1.7818		3.0603	2.4873	2.3290
H7	2.1574	1.0907	2.3669	2.6059	2.4873	3.0603		1.7841	3.4825
H8	2.1574	1.0907	2.3669	2.6059	3.0603	2.4873	1.7841		3.4825
H9	1.9320	3.1846	4.6388	0.9574	2.3290	2.3290	3.4825	3.4825

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.097	C1	C2	H7	110.379
C1	C2	H8	110.379	C1	O4	H9	107.203
C2	C1	O4	106.008	C2	C1	H5	109.367
C2	C1	H6	109.367	Cl3	C2	H7	108.088
Cl3	C2	H8	108.088	O4	C1	H5	111.857
O4	C1	H6	111.857	H5	C1	H6	108.333
H7	C2	H8	109.749

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

using model chemistry: QCISD/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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All results from a given calculation for CH2ClCH2OH (2-Chloroethanol)

using model chemistry: QCISD/6-311G**

States and conformations

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