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	hartrees
Energy at 0K	-613.926624
Energy at 298.15K	-613.920542
HF Energy	-612.975343
Nuclear repulsion energy	159.741790

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4123	4123	51.36
2	A'	3286	3286	20.94
3	A'	3192	3192	43.53
4	A'	1670	1670	2.25
5	A'	1635	1635	8.62
6	A'	1599	1599	4.00
7	A'	1431	1431	2.40
8	A'	1340	1340	110.66
9	A'	1192	1192	87.87
10	A'	1096	1096	8.86
11	A'	824	824	109.16
12	A'	417	417	1.41
13	A'	270	270	11.46
14	A"	3356	3356	11.62
15	A"	3235	3235	57.11
16	A"	1423	1423	0.02
17	A"	1325	1325	3.00
18	A"	1163	1163	3.23
19	A"	858	858	0.09
20	A"	278	278	172.64
21	A"	141	141	13.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.971	-0.567	0.000
C2	0.000	0.600	0.000
Cl3	-1.688	0.027	0.000
O4	2.257	-0.004	0.000
H5	0.821	-1.192	0.881
H6	0.821	-1.192	-0.881
H7	0.130	1.225	0.875
H8	0.130	1.225	-0.875
H9	2.909	-0.683	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5185	2.7247	1.4032	1.0904	1.0904	2.1643	2.1643	1.9407
C2	1.5185		1.7825	2.3363	2.1593	2.1593	1.0831	1.0831	3.1790
Cl3	2.7247	1.7825		3.9447	2.9255	2.9255	2.3467	2.3467	4.6509
O4	1.4032	2.3363	3.9447		2.0609	2.0609	2.6072	2.6072	0.9410
H5	1.0904	2.1593	2.9255	2.0609		1.7616	2.5139	3.0664	2.3220
H6	1.0904	2.1593	2.9255	2.0609	1.7616		3.0664	2.5139	2.3220
H7	2.1643	1.0831	2.3467	2.6072	2.5139	3.0664		1.7501	3.4818
H8	2.1643	1.0831	2.3467	2.6072	3.0664	2.5139	1.7501		3.4818
H9	1.9407	3.1790	4.6509	0.9410	2.3220	2.3220	3.4818	3.4818

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	111.009	C1	C2	H7	111.491
C1	C2	H8	111.491	C1	O4	H9	110.199
C2	C1	O4	106.119	C2	C1	H5	110.650
C2	C1	H6	110.650	Cl3	C2	H7	107.429
Cl3	C2	H8	107.429	O4	C1	H5	110.848
O4	C1	H6	110.848	H5	C1	H6	107.757
H7	C2	H8	107.790

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

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

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