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	hartrees
Energy at 0K	-44.855623
Energy at 298.15K	-44.861522
HF Energy	-44.267782
Nuclear repulsion energy	69.657250

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3794	3615	32.36
2	A'	3138	2990	18.66
3	A'	3067	2922	39.02
4	A'	1563	1489	1.80
5	A'	1530	1458	4.55
6	A'	1475	1406	1.19
7	A'	1336	1273	1.24
8	A'	1249	1190	66.80
9	A'	1073	1022	96.40
10	A'	1044	995	1.51
11	A'	807	769	69.15
12	A'	392	374	3.34
13	A'	252	240	11.95
14	A"	3221	3069	10.57
15	A"	3131	2983	35.96
16	A"	1320	1258	0.10
17	A"	1220	1162	0.37
18	A"	1090	1039	2.92
19	A"	815	777	0.05
20	A"	213	203	128.57
21	A"	127	121	31.59

Atom	x (Å)	y (Å)	z (Å)
C1	0.965	-0.566	0.000
C2	0.000	0.617	0.000
Cl3	-1.696	0.008	0.000
O4	2.281	0.022	0.000
H5	0.799	-1.181	0.894
H6	0.799	-1.181	-0.894
H7	0.139	1.225	0.895
H8	0.139	1.225	-0.895
H9	2.927	-0.705	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5264	2.7225	1.4417	1.0977	1.0977	2.1661	2.1661	1.9669
C2	1.5264		1.8022	2.3571	2.1607	2.1607	1.0911	1.0911	3.2113
Cl3	2.7225	1.8022		3.9774	2.9054	2.9054	2.3769	2.3769	4.6779
O4	1.4417	2.3571	3.9774		2.1077	2.1077	2.6148	2.6148	0.9726
H5	1.0977	2.1607	2.9054	2.1077		1.7890	2.4947	3.0701	2.3565
H6	1.0977	2.1607	2.9054	2.1077	1.7890		3.0701	2.4947	2.3565
H7	2.1661	1.0911	2.3769	2.6148	2.4947	3.0701		1.7900	3.5071
H8	2.1661	1.0911	2.3769	2.6148	3.0701	2.4947	1.7900		3.5071
H9	1.9669	3.2113	4.6779	0.9726	2.3565	2.3565	3.5071	3.5071

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	109.472	C1	C2	H7	110.598
C1	C2	H8	110.598	C1	O4	H9	107.518
C2	C1	O4	105.115	C2	C1	H5	109.777
C2	C1	H6	109.777	Cl3	C2	H7	107.934
Cl3	C2	H8	107.934	O4	C1	H5	111.479
O4	C1	H6	111.479	H5	C1	H6	109.146
H7	C2	H8	110.223

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

using model chemistry: MP2/CEP-121G*

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: MP2/CEP-121G*

States and conformations

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