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	hartrees
Energy at 0K	-614.376601
Energy at 298.15K
HF Energy	-614.127963
Nuclear repulsion energy	159.318202

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3870	3870	36.18
2	A'	3133	3133	13.17
3	A'	3036	3036	33.14
4	A'	1548	1548	2.01
5	A'	1512	1512	3.97
6	A'	1472	1472	4.05
7	A'	1311	1311	1.31
8	A'	1245	1245	51.56
9	A'	1091	1091	82.25
10	A'	1038	1038	15.23
11	A'	786	786	66.63
12	A'	392	392	1.84
13	A'	248	248	8.59
14	A"	3200	3200	5.67
15	A"	3078	3078	36.09
16	A"	1317	1317	0.03
17	A"	1220	1220	0.93
18	A"	1071	1071	2.34
19	A"	808	808	0.05
20	A"	214	214	109.04
21	A"	125	125	16.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.971	-0.556	0.000
C2	0.000	0.609	0.000
Cl3	-1.688	0.006	0.000
O4	2.264	0.022	0.000
H5	0.797	-1.176	0.887
H6	0.797	-1.176	-0.887
H7	0.132	1.223	0.888
H8	0.132	1.223	-0.888
H9	2.908	-0.689	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5166	2.7181	1.4156	1.0962	1.0962	2.1582	2.1582	1.9412
C2	1.5166		1.7928	2.3384	2.1466	2.1466	1.0875	1.0875	3.1844
Cl3	2.7181	1.7928		3.9518	2.8909	2.8909	2.3627	2.3627	4.6483
O4	1.4156	2.3384	3.9518		2.0914	2.0914	2.6031	2.6031	0.9595
H5	1.0962	2.1466	2.8909	2.0914		1.7734	2.4898	3.0575	2.3413
H6	1.0962	2.1466	2.8909	2.0914	1.7734		3.0575	2.4898	2.3413
H7	2.1582	1.0875	2.3627	2.6031	2.4898	3.0575		1.7757	3.4860
H8	2.1582	1.0875	2.3627	2.6031	3.0575	2.4898	1.7757		3.4860
H9	1.9412	3.1844	4.6483	0.9595	2.3413	2.3413	3.4860	3.4860

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.152	C1	C2	H7	110.869
C1	C2	H8	110.869	C1	O4	H9	108.095
C2	C1	O4	105.725	C2	C1	H5	109.431
C2	C1	H6	109.431	Cl3	C2	H7	107.696
Cl3	C2	H8	107.696	O4	C1	H5	112.117
O4	C1	H6	112.117	H5	C1	H6	107.974
H7	C2	H8	109.452

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

using model chemistry: B2PLYP=FULLultrafine/6-31G(2df,p)

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(2df,p)

States and conformations

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