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	hartrees
Energy at 0K	-611.317805
Energy at 298.15K	-611.323713
HF Energy	-611.168889
Nuclear repulsion energy	157.292867

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3516	3516	1.26
2	A'	3159	3159	9.32
3	A'	3054	3054	27.43
4	A'	1614	1614	2.09
5	A'	1567	1567	5.77
6	A'	1487	1487	1.87
7	A'	1340	1340	0.60
8	A'	1261	1261	55.33
9	A'	1026	1026	9.93
10	A'	998	998	53.17
11	A'	739	739	77.75
12	A'	377	377	1.78
13	A'	248	248	12.66
14	A"	3224	3224	5.17
15	A"	3093	3093	44.34
16	A"	1359	1359	0.66
17	A"	1223	1223	0.24
18	A"	1090	1090	2.87
19	A"	849	849	0.28
20	A"	254	254	150.27
21	A"	124	124	15.44

Atom	x (Å)	y (Å)	z (Å)
C1	0.979	-0.568	0.000
C2	0.000	0.604	0.000
Cl3	-1.709	-0.019	0.000
O4	2.288	0.084	0.000
H5	0.811	-1.184	0.890
H6	0.811	-1.184	-0.890
H7	0.137	1.210	0.892
H8	0.137	1.210	-0.892
H9	2.984	-0.622	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5271	2.7442	1.4624	1.0957	1.0957	2.1601	2.1601	2.0060
C2	1.5271		1.8193	2.3465	2.1560	2.1560	1.0868	1.0868	3.2266
Cl3	2.7442	1.8193		3.9990	2.9164	2.9164	2.3904	2.3904	4.7326
O4	1.4624	2.3465	3.9990		2.1406	2.1406	2.5867	2.5867	0.9918
H5	1.0957	2.1560	2.9164	2.1406		1.7805	2.4875	3.0598	2.4147
H6	1.0957	2.1560	2.9164	2.1406	1.7805		3.0598	2.4875	2.4147
H7	2.1601	1.0868	2.3904	2.5867	2.4875	3.0598		1.7832	3.5016
H8	2.1601	1.0868	2.3904	2.5867	3.0598	2.4875	1.7832		3.5016
H9	2.0060	3.2266	4.7326	0.9918	2.4147	2.4147	3.5016	3.5016

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	109.870	C1	C2	H7	110.320
C1	C2	H8	110.320	C1	O4	H9	108.109
C2	C1	O4	103.402	C2	C1	H5	109.474
C2	C1	H6	109.474	Cl3	C2	H7	108.014
Cl3	C2	H8	108.014	O4	C1	H5	112.822
O4	C1	H6	112.822	H5	C1	H6	108.690
H7	C2	H8	110.242

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

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/3-21G*

States and conformations

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