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	hartrees
Energy at 0K	-574.290002
Energy at 298.15K	-574.293761
HF Energy	-573.871099
Nuclear repulsion energy	106.133659

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3259	3010	11.39
2	A'	3148	2908	29.69
3	A'	1592	1470	9.73
4	A'	1541	1424	6.51
5	A'	1258	1162	9.25
6	A'	1112	1027	57.36
7	A'	744	687	4.11
8	A'	389	359	2.76
9	A"	3232	2986	32.92
10	A"	1559	1440	6.49
11	A"	1229	1135	1.68
12	A"	260	240	3.33

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.800	0.000
Cl2	-0.808	-0.692	0.000
C3	1.409	0.603	0.000
H4	1.818	1.611	0.000
H5	1.733	0.069	0.893
H6	1.733	0.069	-0.893

	O1	Cl2	C3	H4	H5	H6
O1		1.6967	1.4225	1.9903	2.0820	2.0820
Cl2	1.6967		2.5671	3.4924	2.7984	2.7984
C3	1.4225	2.5671		1.0879	1.0899	1.0899
H4	1.9903	3.4924	1.0879		1.7841	1.7841
H5	2.0820	2.7984	1.0899	1.7841		1.7865
H6	2.0820	2.7984	1.0899	1.7841	1.7865

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H4	104.108	O1	C3	H5	111.238
O1	C3	H6	111.238	Cl2	O1	C3	110.466
H4	C3	H5	110.018	H4	C3	H6	110.018
H5	C3	H6	110.078

All results from a given calculation for CH₃OCl (methyl hypochlorite)

using model chemistry: CID/6-31G*

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 CH3OCl (methyl hypochlorite)

using model chemistry: CID/6-31G*

States and conformations

All results from a given calculation for CH₃OCl (methyl hypochlorite)