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	hartrees
Energy at 0K	-614.377780
Energy at 298.15K
HF Energy	-614.160182
Nuclear repulsion energy	158.328278

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3842	3697	44.06
2	A'	3123	3005	13.98
3	A'	3047	2932	32.67
4	A'	1514	1457	2.15
5	A'	1484	1429	4.61
6	A'	1438	1384	2.28
7	A'	1291	1242	1.95
8	A'	1232	1186	41.18
9	A'	1056	1016	107.60
10	A'	1035	996	0.81
11	A'	765	737	67.56
12	A'	388	374	1.94
13	A'	249	240	9.40
14	A"	3195	3075	4.83
15	A"	3097	2980	25.00
16	A"	1299	1250	0.09
17	A"	1200	1155	0.31
18	A"	1055	1015	1.40
19	A"	802	771	0.09
20	A"	236	227	106.63
21	A"	120	116	17.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.973	-0.549	0.000
C2	0.000	0.616	0.000
Cl3	-1.698	-0.009	0.000
O4	2.279	0.037	0.000
H5	0.812	-1.169	0.895
H6	0.812	-1.169	-0.895
H7	0.120	1.232	0.896
H8	0.120	1.232	-0.896
H9	2.935	-0.668	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5183	2.7252	1.4312	1.1004	1.1004	2.1684	2.1684	1.9656
C2	1.5183		1.8096	2.3511	2.1560	2.1560	1.0938	1.0938	3.2039
Cl3	2.7252	1.8096		3.9770	2.9066	2.9066	2.3768	2.3768	4.6798
O4	1.4312	2.3511	3.9770		2.0991	2.0991	2.6246	2.6246	0.9637
H5	1.1004	2.1560	2.9066	2.0991		1.7897	2.4984	3.0742	2.3575
H6	1.1004	2.1560	2.9066	2.0991	1.7897		3.0742	2.4984	2.3575
H7	2.1684	1.0938	2.3768	2.6246	2.4984	3.0742		1.7926	3.5123
H8	2.1684	1.0938	2.3768	2.6246	3.0742	2.4984	1.7926		3.5123
H9	1.9656	3.2039	4.6798	0.9637	2.3575	2.3575	3.5123	3.5123

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	109.638	C1	C2	H7	111.182
C1	C2	H8	111.182	C1	O4	H9	108.748
C2	C1	O4	105.671	C2	C1	H5	109.802
C2	C1	H6	109.802	Cl3	C2	H7	107.311
Cl3	C2	H8	107.311	O4	C1	H5	111.356
O4	C1	H6	111.356	H5	C1	H6	108.815
H7	C2	H8	110.063

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

using model chemistry: B2PLYP=FULLultrafine/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: B2PLYP=FULLultrafine/aug-cc-pVDZ

States and conformations

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