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	hartrees
Energy at 0K	-613.684840
Energy at 298.15K	-613.690668
HF Energy	-612.995034
Nuclear repulsion energy	158.917445

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3874	3874
2	A'	3154	3154
3	A'	3074	3074
4	A'	1569	1569
5	A'	1531	1531
6	A'	1477	1477
7	A'	1340	1340
8	A'	1245	1245
9	A'	1079	1079
10	A'	1045	1045
11	A'	793	793
12	A'	394	394
13	A'	253	253
14	A"	3226	3226
15	A"	3125	3125
16	A"	1323	1323
17	A"	1224	1224
18	A"	1094	1094
19	A"	814	814
20	A"	181	181
21	A"	111	111

Atom	x (Å)	y (Å)	z (Å)
C1	0.963	-0.564	0.000
C2	0.000	0.609	0.000
Cl3	-1.692	0.014	0.000
O4	2.272	0.014	0.000
H5	0.800	-1.180	0.889
H6	0.800	-1.180	-0.889
H7	0.144	1.219	0.889
H8	0.144	1.219	-0.889
H9	2.925	-0.696	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5173	2.7168	1.4308	1.0941	1.0941	2.1534	2.1534	1.9664
C2	1.5173		1.7936	2.3485	2.1520	2.1520	1.0873	1.0873	3.2028
Cl3	2.7168	1.7936		3.9638	2.9027	2.9027	2.3688	2.3688	4.6710
O4	1.4308	2.3485	3.9638		2.0932	2.0932	2.6019	2.6019	0.9646
H5	1.0941	2.1520	2.9027	2.0932		1.7788	2.4864	3.0569	2.3535
H6	1.0941	2.1520	2.9027	2.0932	1.7788		3.0569	2.4864	2.3535
H7	2.1534	1.0873	2.3688	2.6019	2.4864	3.0569		1.7777	3.4914
H8	2.1534	1.0873	2.3688	2.6019	3.0569	2.4864	1.7777		3.4914
H9	1.9664	3.2028	4.6710	0.9646	2.3535	2.3535	3.4914	3.4914

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.001	C1	C2	H7	110.445
C1	C2	H8	110.445	C1	O4	H9	108.792
C2	C1	O4	105.579	C2	C1	H5	109.928
C2	C1	H6	109.928	Cl3	C2	H7	108.107
Cl3	C2	H8	108.107	O4	C1	H5	111.303
O4	C1	H6	111.303	H5	C1	H6	108.768
H7	C2	H8	109.672

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

using model chemistry: QCISD(T)=FULL/6-31+G**

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: QCISD(T)=FULL/6-31+G**

States and conformations

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