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	hartrees
Energy at 0K
Energy at 298.15K	-0.054517
HF Energy	-0.054517
Nuclear repulsion energy	65.799584

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.805	0.000
Cl2	-0.793	-0.723	0.000
C3	1.380	0.650	0.000
H4	1.729	1.687	0.000
H5	1.736	0.130	0.896
H6	1.736	0.130	-0.896

	O1	Cl2	C3	H4	H5	H6
O1		1.7217	1.3885	1.9410	2.0672	2.0672
Cl2	1.7217		2.5702	3.4885	2.8156	2.8156
C3	1.3885	2.5702		1.0946	1.0953	1.0953
H4	1.9410	3.4885	1.0946		1.7966	1.7966
H5	2.0672	2.8156	1.0953	1.7966		1.7912
H6	2.0672	2.8156	1.0953	1.7966	1.7912

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H4	102.174	O1	C3	H5	112.128
O1	C3	H6	112.128	Cl2	O1	C3	111.001
H4	C3	H5	110.249	H4	C3	H6	110.249
H5	C3	H6	109.707

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

using model chemistry: PM3

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: PM3

States and conformations

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