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	hartrees
Energy at 0K	-571.323652
Energy at 298.15K	-571.327311
HF Energy	-571.061390
Nuclear repulsion energy	101.152633

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3187	2969	9.25
2	A'	3106	2893	14.21
3	A'	1614	1504	10.07
4	A'	1524	1420	9.23
5	A'	1203	1121	4.38
6	A'	997	929	20.35
7	A'	657	612	5.77
8	A'	355	331	3.99
9	A"	3183	2965	28.82
10	A"	1576	1468	8.07
11	A"	1186	1105	0.40
12	A"	251	234	3.49

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.869	0.000
Cl2	-0.836	-0.748	0.000
C3	1.462	0.647	0.000
H4	1.863	1.663	0.000
H5	1.785	0.114	0.896
H6	1.785	0.114	-0.896

	O1	Cl2	C3	H4	H5	H6
O1		1.8203	1.4786	2.0253	2.1347	2.1347
Cl2	1.8203		2.6883	3.6191	2.9002	2.9002
C3	1.4786	2.6883		1.0920	1.0913	1.0913
H4	2.0253	3.6191	1.0920		1.7911	1.7911
H5	2.1347	2.9002	1.0913	1.7911		1.7914
H6	2.1347	2.9002	1.0913	1.7911	1.7914

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H4	102.938	O1	C3	H5	111.439
O1	C3	H6	111.439	Cl2	O1	C3	108.714
H4	C3	H5	110.244	H4	C3	H6	110.244
H5	C3	H6	110.326

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

using model chemistry: CID/3-21G

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/3-21G

States and conformations

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