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	hartrees
Energy at 0K	-610.325981
Energy at 298.15K	-610.331802
HF Energy	-609.937790
Nuclear repulsion energy	154.022450

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3466	3362
2	A'	3134	3039
3	A'	3015	2924
4	A'	1607	1558
5	A'	1550	1503
6	A'	1480	1435
7	A'	1309	1269
8	A'	1247	1209
9	A'	1006	976
10	A'	983	953
11	A'	686	665
12	A'	356	345
13	A'	236	229
14	A"	3209	3112
15	A"	3054	2961
16	A"	1345	1304
17	A"	1206	1170
18	A"	1041	1009
19	A"	827	802
20	A"	252	244
21	A"	122	118

Atom	x (Å)	y (Å)	z (Å)
C1	1.037	-0.493	0.000
C2	0.000	0.634	0.000
Cl3	-1.752	-0.150	0.000
O4	2.322	0.237	0.000
H5	0.904	-1.120	0.895
H6	0.904	-1.120	-0.895
H7	0.065	1.243	0.903
H8	0.065	1.243	-0.903
H9	3.052	-0.440	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5320	2.8105	1.4779	1.1010	1.1010	2.1849	2.1849	2.0155
C2	1.5320		1.9197	2.3559	2.1673	2.1673	1.0905	1.0905	3.2356
Cl3	2.8105	1.9197		4.0927	2.9666	2.9666	2.4610	2.4610	4.8131
O4	1.4779	2.3559	4.0927		2.1571	2.1571	2.6309	2.6309	0.9954
H5	1.1010	2.1673	2.9666	2.1571		1.7906	2.5076	3.0855	2.4242
H6	1.1010	2.1673	2.9666	2.1571	1.7906		3.0855	2.5076	2.4242
H7	2.1849	1.0905	2.4610	2.6309	2.5076	3.0855		1.8052	3.5453
H8	2.1849	1.0905	2.4610	2.6309	3.0855	2.5076	1.8052		3.5453
H9	2.0155	3.2356	4.8131	0.9954	2.4242	2.4242	3.5453	3.5453

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	108.504	C1	C2	H7	111.737
C1	C2	H8	111.737	C1	O4	H9	107.554
C2	C1	O4	103.003	C2	C1	H5	109.716
C2	C1	H6	109.716	Cl3	C2	H7	106.398
Cl3	C2	H8	106.398	O4	C1	H5	112.719
O4	C1	H6	112.719	H5	C1	H6	108.813
H7	C2	H8	111.723

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

using model chemistry: MP4/3-21G

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: MP4/3-21G

States and conformations

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