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	hartrees
Energy at 0K	-37.965589
Energy at 298.15K	-37.969289
HF Energy	-37.531788
Nuclear repulsion energy	42.192989

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3213	3051	18.00
2	A'	3083	2927	41.76
3	A'	1532	1454	9.56
4	A'	1480	1405	3.47
5	A'	1204	1143	5.95
6	A'	1031	979	50.01
7	A'	702	667	4.03
8	A'	367	348	3.12
9	A"	3191	3030	45.85
10	A"	1492	1416	5.66
11	A"	1178	1118	0.53
12	A"	267	254	3.80

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.826	0.000
Cl2	-0.819	-0.700	0.000
C3	1.431	0.596	0.000
H4	1.848	1.616	0.000
H5	1.744	0.050	0.907
H6	1.744	0.050	-0.907

	O1	Cl2	C3	H4	H5	H6
O1		1.7321	1.4492	2.0097	2.1136	2.1136
Cl2	1.7321		2.5960	3.5322	2.8202	2.8202
C3	1.4492	2.5960		1.1024	1.1039	1.1039
H4	2.0097	3.5322	1.1024		1.8127	1.8127
H5	2.1136	2.8202	1.1039	1.8127		1.8141
H6	2.1136	2.8202	1.1039	1.8127	1.8141

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H4	103.085	O1	C3	H5	111.031
O1	C3	H6	111.031	Cl2	O1	C3	109.050
H4	C3	H5	110.490	H4	C3	H6	110.490
H5	C3	H6	110.505

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

using model chemistry: MP2/CEP-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: MP2/CEP-31G*

States and conformations

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