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	hartrees
Energy at 0K	-613.704491
Energy at 298.15K	-613.710416
HF Energy	-613.036399
Nuclear repulsion energy	158.878072

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3820	3678
2	A'	3093	2978
3	A'	3003	2891
4	A'	1551	1493
5	A'	1513	1457
6	A'	1485	1430
7	A'	1344	1294
8	A'	1262	1215
9	A'	1095	1054
10	A'	1048	1009
11	A'	792	763
12	A'	394	379
13	A'	253	244
14	A"	3159	3042
15	A"	3046	2932
16	A"	1326	1276
17	A"	1229	1183
18	A"	1092	1051
19	A"	812	782
20	A"	218	210
21	A"	133	128

Atom	x (Å)	y (Å)	z (Å)
C1	0.970	-0.560	0.000
C2	0.000	0.611	0.000
Cl3	-1.692	0.009	0.000
O4	2.269	0.019	0.000
H5	0.798	-1.181	0.893
H6	0.798	-1.181	-0.893
H7	0.141	1.223	0.894
H8	0.141	1.223	-0.894
H9	2.916	-0.692	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5198	2.7217	1.4225	1.1015	1.1015	2.1599	2.1599	1.9510
C2	1.5198		1.7960	2.3450	2.1551	2.1551	1.0928	1.0928	3.1939
Cl3	2.7217	1.7960		3.9612	2.9007	2.9007	2.3738	2.3738	4.6612
O4	1.4225	2.3450	3.9612		2.0980	2.0980	2.6035	2.6035	0.9614
H5	1.1015	2.1551	2.9007	2.0980		1.7869	2.4924	3.0669	2.3501
H6	1.1015	2.1551	2.9007	2.0980	1.7869		3.0669	2.4924	2.3501
H7	2.1599	1.0928	2.3738	2.6035	2.4924	3.0669		1.7876	3.4885
H8	2.1599	1.0928	2.3738	2.6035	3.0669	2.4924	1.7876		3.4885
H9	1.9510	3.1939	4.6612	0.9614	2.3501	2.3501	3.4885	3.4885

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.060	C1	C2	H7	110.454
C1	C2	H8	110.454	C1	O4	H9	108.293
C2	C1	O4	105.639	C2	C1	H5	109.562
C2	C1	H6	109.562	Cl3	C2	H7	108.033
Cl3	C2	H8	108.033	O4	C1	H5	111.815
O4	C1	H6	111.815	H5	C1	H6	108.405
H7	C2	H8	109.741

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

using model chemistry: QCISD(T)/6-311G*

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)/6-311G*

States and conformations

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