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	hartrees
Energy at 0K	-613.896770
Energy at 298.15K	-613.902701
HF Energy	-613.080758
Nuclear repulsion energy	159.546892

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3905	3675	42.38
2	A'	3126	2943	14.44
3	A'	3047	2868	32.10
4	A'	1552	1460	2.21
5	A'	1519	1430	4.45
6	A'	1482	1395	1.98
7	A'	1324	1246	1.37
8	A'	1255	1181	52.27
9	A'	1109	1044	90.76
10	A'	1051	989	7.66
11	A'	801	753	61.05
12	A'	397	373	2.37
13	A'	250	235	8.82
14	A"	3189	3001	7.09
15	A"	3088	2907	29.57
16	A"	1325	1248	0.02
17	A"	1231	1158	0.85
18	A"	1080	1016	2.24
19	A"	811	763	0.00
20	A"	218	205	108.79
21	A"	127	120	17.89

Atom	x (Å)	y (Å)	z (Å)
C1	0.964	-0.555	0.000
C2	0.000	0.612	0.000
Cl3	-1.685	0.010	0.000
O4	2.263	0.011	0.000
H5	0.790	-1.171	0.886
H6	0.790	-1.171	-0.886
H7	0.134	1.223	0.887
H8	0.134	1.223	-0.887
H9	2.902	-0.703	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5140	2.7088	1.4170	1.0928	1.0928	2.1538	2.1538	1.9430
C2	1.5140		1.7891	2.3419	2.1420	2.1420	1.0854	1.0854	3.1856
Cl3	2.7088	1.7891		3.9482	2.8822	2.8822	2.3594	2.3594	4.6416
O4	1.4170	2.3419	3.9482		2.0858	2.0858	2.6058	2.6058	0.9573
H5	1.0928	2.1420	2.8822	2.0858		1.7720	2.4826	3.0505	2.3369
H6	1.0928	2.1420	2.8822	2.0858	1.7720		3.0505	2.4826	2.3369
H7	2.1538	1.0854	2.3594	2.6058	2.4826	3.0505		1.7733	3.4864
H8	2.1538	1.0854	2.3594	2.6058	3.0505	2.4826	1.7733		3.4864
H9	1.9430	3.1856	4.6416	0.9573	2.3369	2.3369	3.4864	3.4864

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	109.906	C1	C2	H7	110.829
C1	C2	H8	110.829	C1	O4	H9	108.274
C2	C1	O4	106.021	C2	C1	H5	109.451
C2	C1	H6	109.451	Cl3	C2	H7	107.814
Cl3	C2	H8	107.814	O4	C1	H5	111.768
O4	C1	H6	111.768	H5	C1	H6	108.339
H7	C2	H8	109.552

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

using model chemistry: CCSD/cc-pVTZ

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: CCSD/cc-pVTZ

States and conformations

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