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	hartrees
Energy at 0K	-574.337715
Energy at 298.15K	-574.341438
HF Energy	-573.870057
Nuclear repulsion energy	105.387056

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3211	3014	10.16
2	A'	3102	2912	26.13
3	A'	1566	1470	9.47
4	A'	1512	1419	4.69
5	A'	1233	1157	9.10
6	A'	1081	1015	45.90
7	A'	704	661	2.84
8	A'	381	357	3.06
9	A"	3186	2991	30.34
10	A"	1531	1437	6.71
11	A"	1205	1131	1.33
12	A"	259	244	3.21

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.814	0.000
Cl2	-0.811	-0.699	0.000
C3	1.413	0.605	0.000
H4	1.827	1.616	0.000
H5	1.736	0.068	0.897
H6	1.736	0.068	-0.897

	O1	Cl2	C3	H4	H5	H6
O1		1.7164	1.4288	1.9953	2.0911	2.0911
Cl2	1.7164		2.5783	3.5094	2.8063	2.8063
C3	1.4288	2.5783		1.0922	1.0939	1.0939
H4	1.9953	3.5094	1.0922		1.7915	1.7915
H5	2.0911	2.8063	1.0939	1.7915		1.7937
H6	2.0911	2.8063	1.0939	1.7915	1.7937

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H4	103.847	O1	C3	H5	111.284
O1	C3	H6	111.284	Cl2	O1	C3	109.785
H4	C3	H5	110.068	H4	C3	H6	110.068
H5	C3	H6	110.134

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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