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	hartrees
Energy at 0K	-613.226910
Energy at 298.15K	-613.232833
HF Energy	-612.892584
Nuclear repulsion energy	155.668200

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3793	3547	16.97
2	A'	3205	2997	9.31
3	A'	3098	2897	25.57
4	A'	1618	1513	1.32
5	A'	1575	1473	6.42
6	A'	1517	1419	2.31
7	A'	1362	1274	3.62
8	A'	1280	1197	58.02
9	A'	1073	1003	50.79
10	A'	1051	983	37.00
11	A'	735	687	89.83
12	A'	382	357	2.35
13	A'	250	234	14.42
14	A"	3281	3068	6.04
15	A"	3143	2940	40.61
16	A"	1366	1278	0.15
17	A"	1244	1164	1.70
18	A"	1098	1027	2.22
19	A"	843	789	0.07
20	A"	246	230	198.29
21	A"	124	116	19.40

Atom	x (Å)	y (Å)	z (Å)
C1	1.016	-0.511	0.000
C2	0.000	0.620	0.000
Cl3	-1.739	-0.098	0.000
O4	2.308	0.162	0.000
H5	0.894	-1.137	0.891
H6	0.894	-1.137	-0.891
H7	0.082	1.231	0.895
H8	0.082	1.231	-0.895
H9	3.044	-0.469	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5202	2.7860	1.4564	1.0960	1.0960	2.1698	2.1698	2.0282
C2	1.5202		1.8812	2.3531	2.1632	2.1632	1.0870	1.0870	3.2328
Cl3	2.7860	1.8812		4.0553	2.9673	2.9673	2.4260	2.4260	4.7973
O4	1.4564	2.3531	4.0553		2.1169	2.1169	2.6264	2.6264	0.9692
H5	1.0960	2.1632	2.9673	2.1169		1.7819	2.5038	3.0753	2.4216
H6	1.0960	2.1632	2.9673	2.1169	1.7819		3.0753	2.5038	2.4216
H7	2.1698	1.0870	2.4260	2.6264	2.5038	3.0753		1.7893	3.5302
H8	2.1698	1.0870	2.4260	2.6264	3.0753	2.5038	1.7893		3.5302
H9	2.0282	3.2328	4.7973	0.9692	2.4216	2.4216	3.5302	3.5302

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	109.526	C1	C2	H7	111.581
C1	C2	H8	111.581	C1	O4	H9	111.902
C2	C1	O4	104.450	C2	C1	H5	110.509
C2	C1	H6	110.509	Cl3	C2	H7	106.552
Cl3	C2	H8	106.552	O4	C1	H5	111.290
O4	C1	H6	111.290	H5	C1	H6	108.762
H7	C2	H8	110.790

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

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

using model chemistry: CID/6-31G

States and conformations

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