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	hartrees
Energy at 0K	-614.319569
Energy at 298.15K
HF Energy	-614.116842
Nuclear repulsion energy	158.976109

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3870	3870	28.14
2	A'	3150	3150	15.71
3	A'	3051	3051	38.12
4	A'	1569	1569	2.28
5	A'	1532	1532	4.53
6	A'	1485	1485	3.49
7	A'	1333	1333	1.08
8	A'	1251	1251	61.82
9	A'	1093	1093	79.55
10	A'	1042	1042	18.73
11	A'	785	785	71.63
12	A'	394	394	1.98
13	A'	252	252	10.01
14	A"	3220	3220	8.51
15	A"	3096	3096	45.29
16	A"	1328	1328	0.06
17	A"	1231	1231	0.89
18	A"	1090	1090	3.17
19	A"	818	818	0.01
20	A"	223	223	127.08
21	A"	130	130	17.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.975	-0.556	0.000
C2	0.000	0.606	0.000
Cl3	-1.694	0.003	0.000
O4	2.269	0.030	0.000
H5	0.805	-1.177	0.887
H6	0.805	-1.177	-0.887
H7	0.135	1.219	0.887
H8	0.135	1.219	-0.887
H9	2.919	-0.680	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5169	2.7271	1.4203	1.0959	1.0959	2.1556	2.1556	1.9476
C2	1.5169		1.7979	2.3405	2.1479	2.1479	1.0872	1.0872	3.1896
Cl3	2.7271	1.7979		3.9627	2.9024	2.9024	2.3685	2.3685	4.6631
O4	1.4203	2.3405	3.9627		2.0946	2.0946	2.5992	2.5992	0.9633
H5	1.0959	2.1479	2.9024	2.0946		1.7732	2.4887	3.0562	2.3455
H6	1.0959	2.1479	2.9024	2.0946	1.7732		3.0562	2.4887	2.3455
H7	2.1556	1.0872	2.3685	2.5992	2.4887	3.0562		1.7746	3.4855
H8	2.1556	1.0872	2.3685	2.5992	3.0562	2.4887	1.7746		3.4855
H9	1.9476	3.1896	4.6631	0.9633	2.3455	2.3455	3.4855	3.4855

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.424	C1	C2	H7	110.660
C1	C2	H8	110.660	C1	O4	H9	108.054
C2	C1	O4	105.613	C2	C1	H5	109.531
C2	C1	H6	109.531	Cl3	C2	H7	107.802
Cl3	C2	H8	107.802	O4	C1	H5	112.060
O4	C1	H6	112.060	H5	C1	H6	108.006
H7	C2	H8	109.404

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

using model chemistry: B2PLYP=FULLultrafine/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: B2PLYP=FULLultrafine/6-31G**

States and conformations

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