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	hartrees
Energy at 0K	-574.492583
Energy at 298.15K	-574.496305
HF Energy	-573.888938
Nuclear repulsion energy	106.144205

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3183	3016	8.35
2	A'	3076	2914	26.63
3	A'	1540	1459	9.78
4	A'	1491	1412	5.33
5	A'	1224	1159	8.46
6	A'	1066	1010	48.91
7	A'	701	665	3.12
8	A'	380	360	2.57
9	A"	3159	2993	24.54
10	A"	1502	1423	6.22
11	A"	1198	1135	1.17
12	A"	256	243	2.25

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.806	0.000
Cl2	-0.808	-0.687	0.000
C3	1.408	0.590	0.000
H4	1.833	1.595	0.000
H5	1.728	0.050	0.895
H6	1.728	0.050	-0.895

	O1	Cl2	C3	H4	H5	H6
O1		1.6978	1.4240	1.9961	2.0875	2.0875
Cl2	1.6978		2.5574	3.4910	2.7885	2.7885
C3	1.4240	2.5574		1.0915	1.0930	1.0930
H4	1.9961	3.4910	1.0915		1.7884	1.7884
H5	2.0875	2.7885	1.0930	1.7884		1.7894
H6	2.0875	2.7885	1.0930	1.7884	1.7894

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H4	104.258	O1	C3	H5	111.388
O1	C3	H6	111.388	Cl2	O1	C3	109.704
H4	C3	H5	109.901	H4	C3	H6	109.901
H5	C3	H6	109.874

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

using model chemistry: QCISD/6-31G(2df,p)

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: QCISD/6-31G(2df,p)

States and conformations

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