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	hartrees
Energy at 0K	-613.719384
Energy at 298.15K	-613.725314
HF Energy	-613.031017
Nuclear repulsion energy	158.076740

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3860	3719	39.16
2	A'	3113	2999	14.51
3	A'	3041	2930	31.09
4	A'	1521	1465	1.85
5	A'	1492	1437	4.88
6	A'	1454	1401	2.36
7	A'	1307	1259	2.34
8	A'	1244	1198	46.72
9	A'	1080	1040	99.48
10	A'	1043	1005	0.57
11	A'	780	752	63.65
12	A'	390	376	2.16
13	A'	250	241	9.28
14	A"	3181	3065	6.14
15	A"	3089	2976	25.42
16	A"	1301	1253	0.05
17	A"	1208	1163	0.49
18	A"	1064	1025	1.51
19	A"	800	771	0.00
20	A"	242	233	107.67
21	A"	124	120	16.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.971	-0.555	0.000
C2	0.000	0.620	0.000
Cl3	-1.699	-0.001	0.000
O4	2.282	0.024	0.000
H5	0.805	-1.176	0.899
H6	0.805	-1.176	-0.899
H7	0.126	1.237	0.900
H8	0.126	1.237	-0.900
H9	2.930	-0.690	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5248	2.7271	1.4331	1.1052	1.1052	2.1764	2.1764	1.9635
C2	1.5248		1.8088	2.3590	2.1641	2.1641	1.0985	1.0985	3.2097
Cl3	2.7271	1.8088		3.9812	2.9081	2.9081	2.3817	2.3817	4.6801
O4	1.4331	2.3590	3.9812		2.1052	2.1052	2.6328	2.6328	0.9639
H5	1.1052	2.1641	2.9081	2.1052		1.7972	2.5072	3.0857	2.3586
H6	1.1052	2.1641	2.9081	2.1052	1.7972		3.0857	2.5072	2.3586
H7	2.1764	1.0985	2.3817	2.6328	2.5072	3.0857		1.8004	3.5195
H8	2.1764	1.0985	2.3817	2.6328	3.0857	2.5072	1.8004		3.5195
H9	1.9635	3.2097	4.6801	0.9639	2.3586	2.3586	3.5195	3.5195

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	109.494	C1	C2	H7	111.085
C1	C2	H8	111.085	C1	O4	H9	108.413
C2	C1	O4	105.745	C2	C1	H5	109.714
C2	C1	H6	109.714	Cl3	C2	H7	107.490
Cl3	C2	H8	107.490	O4	C1	H5	111.416
O4	C1	H6	111.416	H5	C1	H6	108.795
H7	C2	H8	110.062

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

using model chemistry: CCSD/aug-cc-pVDZ

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: CCSD/aug-cc-pVDZ

States and conformations

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