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	hartrees
Energy at 0K	-610.517247
Energy at 298.15K	-610.523149
HF Energy	-610.043131
Nuclear repulsion energy	156.646528

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3490	3354	0.18
2	A'	3113	2992	9.81
3	A'	3014	2897	24.08
4	A'	1609	1546	1.67
5	A'	1562	1502	5.29
6	A'	1486	1428	2.37
7	A'	1343	1291	0.15
8	A'	1262	1213	61.02
9	A'	1017	977	16.66
10	A'	993	954	32.59
11	A'	742	713	71.44
12	A'	375	360	2.02
13	A'	248	238	12.82
14	A"	3174	3051	6.27
15	A"	3049	2930	41.74
16	A"	1352	1299	0.60
17	A"	1222	1175	0.46
18	A"	1092	1050	2.79
19	A"	841	809	0.05
20	A"	253	243	151.90
21	A"	126	121	14.44

Atom	x (Å)	y (Å)	z (Å)
C1	0.977	-0.580	0.000
C2	0.000	0.607	0.000
Cl3	-1.715	-0.004	0.000
O4	2.300	0.066	0.000
H5	0.807	-1.198	0.895
H6	0.807	-1.198	-0.895
H7	0.145	1.215	0.896
H8	0.145	1.215	-0.896
H9	2.990	-0.649	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5371	2.7531	1.4720	1.1009	1.1009	2.1715	2.1715	2.0141
C2	1.5371		1.8208	2.3629	2.1702	2.1702	1.0921	1.0921	3.2430
Cl3	2.7531	1.8208		4.0159	2.9306	2.9306	2.3973	2.3973	4.7492
O4	1.4720	2.3629	4.0159		2.1508	2.1508	2.6018	2.6018	0.9931
H5	1.1009	2.1702	2.9306	2.1508		1.7897	2.5021	3.0768	2.4223
H6	1.1009	2.1702	2.9306	2.1508	1.7897		3.0768	2.5021	2.4223
H7	2.1715	1.0921	2.3973	2.6018	2.5021	3.0768		1.7914	3.5173
H8	2.1715	1.0921	2.3973	2.6018	3.0768	2.5021	1.7914		3.5173
H9	2.0141	3.2430	4.7492	0.9931	2.4223	2.4223	3.5173	3.5173

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	109.860	C1	C2	H7	110.216
C1	C2	H8	110.216	C1	O4	H9	108.010
C2	C1	O4	103.472	C2	C1	H5	109.601
C2	C1	H6	109.601	Cl3	C2	H7	108.150
Cl3	C2	H8	108.150	O4	C1	H5	112.637
O4	C1	H6	112.637	H5	C1	H6	108.753
H7	C2	H8	110.198

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

using model chemistry: QCISD/3-21G*

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/3-21G*

States and conformations

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