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	hartrees
Energy at 0K	-573.521110
Energy at 298.15K	-573.524797
HF Energy	-573.521110
Nuclear repulsion energy	105.959455

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3061	3004	6.14
2	A'	2942	2887	29.81
3	A'	1459	1432	12.40
4	A'	1390	1364	0.21
5	A'	1167	1145	22.23
6	A'	1045	1025	19.18
7	A'	681	668	3.77
8	A'	363	356	5.40
9	A"	3019	2963	30.07
10	A"	1389	1363	11.61
11	A"	1138	1117	0.12
12	A"	274	269	3.95

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.812	0.000
Cl2	-0.800	-0.702	0.000
C3	1.388	0.610	0.000
H4	1.798	1.635	0.000
H5	1.740	0.076	0.904
H6	1.740	0.076	-0.904

	O1	Cl2	C3	H4	H5	H6
O1		1.7125	1.4023	1.9775	2.0942	2.0942
Cl2	1.7125		2.5509	3.4946	2.8060	2.8060
C3	1.4023	2.5509		1.1042	1.1071	1.1071
H4	1.9775	3.4946	1.1042		1.8028	1.8028
H5	2.0942	2.8060	1.1071	1.8028		1.8073
H6	2.0942	2.8060	1.1071	1.8028	1.8073

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H4	103.535	O1	C3	H5	112.606
O1	C3	H6	112.606	Cl2	O1	C3	109.565
H4	C3	H5	109.226	H4	C3	H6	109.226
H5	C3	H6	109.425

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

using model chemistry: LSDA/6-31G**

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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Number	Element	Mulliken
1	O	-0.417
2	Cl	0.146
3	C	-0.214
4	H	0.175
5	H	0.155
6	H	0.155

	x	y	z	Total
	1.802	-0.122	0.000	1.806
CHELPG
AIM
ESP

	x	y	z
x	4.554	1.299	0.000
y	1.299	4.226	0.000
z	0.000	0.000	2.914

<r²>	66.823
(<r²>)^1/2	8.175

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

using model chemistry: LSDA/6-31G**

States and conformations

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