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	hartrees
Energy at 0K	-614.298366
Energy at 298.15K	-614.304287
HF Energy	-614.105188
Nuclear repulsion energy	158.867197

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3784	3589	26.89
2	A'	3152	2989	15.59
3	A'	3054	2896	37.60
4	A'	1579	1498	2.22
5	A'	1542	1463	4.57
6	A'	1493	1416	3.77
7	A'	1343	1273	0.84
8	A'	1261	1196	64.05
9	A'	1092	1036	78.76
10	A'	1045	991	16.67
11	A'	786	746	72.37
12	A'	394	374	2.06
13	A'	253	240	10.29
14	A"	3218	3052	8.52
15	A"	3096	2936	46.31
16	A"	1333	1264	0.07
17	A"	1234	1171	0.82
18	A"	1097	1040	3.33
19	A"	822	779	0.02
20	A"	230	218	132.33
21	A"	130	124	17.26

Atom	x (Å)	y (Å)	z (Å)
C1	0.975	-0.557	0.000
C2	0.000	0.606	0.000
Cl3	-1.694	0.003	0.000
O4	2.269	0.031	0.000
H5	0.806	-1.179	0.888
H6	0.806	-1.179	-0.888
H7	0.135	1.221	0.889
H8	0.135	1.221	-0.889
H9	2.922	-0.684	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5175	2.7273	1.4217	1.0973	1.0973	2.1574	2.1574	1.9516
C2	1.5175		1.7985	2.3407	2.1507	2.1507	1.0888	1.0888	3.1942
Cl3	2.7273	1.7985		3.9635	2.9053	2.9053	2.3706	2.3706	4.6674
O4	1.4217	2.3407	3.9635		2.0957	2.0957	2.5995	2.5995	0.9683
H5	1.0973	2.1507	2.9053	2.0957		1.7768	2.4916	3.0603	2.3474
H6	1.0973	2.1507	2.9053	2.0957	1.7768		3.0603	2.4916	2.3474
H7	2.1574	1.0888	2.3706	2.5995	2.4916	3.0603		1.7771	3.4904
H8	2.1574	1.0888	2.3706	2.5995	3.0603	2.4916	1.7771		3.4904
H9	1.9516	3.1942	4.6674	0.9683	2.3474	2.3474	3.4904	3.4904

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.374	C1	C2	H7	110.661
C1	C2	H8	110.661	C1	O4	H9	107.984
C2	C1	O4	105.526	C2	C1	H5	109.624
C2	C1	H6	109.624	Cl3	C2	H7	107.836
Cl3	C2	H8	107.836	O4	C1	H5	111.959
O4	C1	H6	111.959	H5	C1	H6	108.113
H7	C2	H8	109.383

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

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

States and conformations

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