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	hartrees
Energy at 0K	-613.662004
Energy at 298.15K	-613.667982
HF Energy	-613.014167
Nuclear repulsion energy	158.710318

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3893	3724	37.42
2	A'	3128	2993	16.91
3	A'	3042	2910	38.08
4	A'	1537	1471	2.22
5	A'	1507	1442	5.30
6	A'	1482	1418	1.65
7	A'	1326	1268	4.17
8	A'	1255	1200	62.42
9	A'	1128	1079	78.76
10	A'	1056	1011	7.15
11	A'	811	776	59.37
12	A'	398	380	2.45
13	A'	253	242	8.86
14	A"	3197	3058	10.73
15	A"	3088	2954	45.35
16	A"	1313	1256	0.00
17	A"	1223	1170	1.15
18	A"	1074	1027	3.11
19	A"	810	774	0.04
20	A"	242	231	116.55
21	A"	134	128	13.40

Atom	x (Å)	y (Å)	z (Å)
C1	0.974	-0.562	0.000
C2	0.000	0.610	0.000
Cl3	-1.693	0.016	0.000
O4	2.271	0.010	0.000
H5	0.792	-1.189	0.896
H6	0.792	-1.189	-0.896
H7	0.145	1.231	0.897
H8	0.145	1.231	-0.897
H9	2.904	-0.717	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5239	2.7292	1.4172	1.1086	1.1086	2.1701	2.1701	1.9360
C2	1.5239		1.7944	2.3487	2.1599	2.1599	1.1009	1.1009	3.1925
Cl3	2.7292	1.7944		3.9640	2.9036	2.9036	2.3793	2.3793	4.6551
O4	1.4172	2.3487	3.9640		2.1039	2.1039	2.6108	2.6108	0.9637
H5	1.1086	2.1599	2.9036	2.1039		1.7928	2.5051	3.0808	2.3422
H6	1.1086	2.1599	2.9036	2.1039	1.7928		3.0808	2.5051	2.3422
H7	2.1701	1.1009	2.3793	2.6108	2.5051	3.0808		1.7937	3.4946
H8	2.1701	1.1009	2.3793	2.6108	3.0808	2.5051	1.7937		3.4946
H9	1.9360	3.1925	4.6551	0.9637	2.3422	2.3422	3.4946	3.4946

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.400	C1	C2	H7	110.501
C1	C2	H8	110.501	C1	O4	H9	107.265
C2	C1	O4	105.930	C2	C1	H5	109.245
C2	C1	H6	109.245	Cl3	C2	H7	108.127
Cl3	C2	H8	108.127	O4	C1	H5	112.226
O4	C1	H6	112.226	H5	C1	H6	107.910
H7	C2	H8	109.115

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

using model chemistry: CCD/cc-pVDZ

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: CCD/cc-pVDZ

States and conformations

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