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	hartrees
Energy at 0K	-574.363211
Energy at 298.15K
HF Energy	-573.875051
Nuclear repulsion energy	105.525091

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.800	0.000
Cl2	-0.809	-0.691	0.000
C3	1.410	0.602	0.000
H4	1.820	1.608	0.000
H5	1.740	0.068	0.891
H6	1.740	0.068	-0.891

	O1	Cl2	C3	H4	H5	H6
O1		1.6967	1.4235	1.9908	2.0874	2.0874
Cl2	1.6967		2.5680	3.4924	2.8053	2.8053
C3	1.4235	2.5680		1.0866	1.0899	1.0899
H4	1.9908	3.4924	1.0866		1.7808	1.7808
H5	2.0874	2.8053	1.0899	1.7808		1.7825
H6	2.0874	2.8053	1.0899	1.7808	1.7825

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H4	104.148	O1	C3	H5	111.612
O1	C3	H6	111.612	Cl2	O1	C3	110.473
H4	C3	H5	109.808	H4	C3	H6	109.808
H5	C3	H6	109.719

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

using model chemistry: MP3/6-31+G**

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: MP3/6-31+G**

States and conformations

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