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	hartrees
Energy at 0K	-573.529636
Energy at 298.15K	-573.533305
HF Energy	-573.529636
Nuclear repulsion energy	105.828661

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3063	3017	5.45
2	A'	2944	2900	32.19
3	A'	1444	1422	14.01
4	A'	1382	1361	0.23
5	A'	1159	1141	24.10
6	A'	1033	1018	20.28
7	A'	677	667	4.47
8	A'	359	354	5.31
9	A"	3025	2979	26.65
10	A"	1382	1361	13.87
11	A"	1130	1113	0.21
12	A"	267	263	4.68

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.808	0.000
Cl2	-0.802	-0.705	0.000
C3	1.393	0.617	0.000
H4	1.794	1.645	0.000
H5	1.740	0.085	0.906
H6	1.740	0.085	-0.906

	O1	Cl2	C3	H4	H5	H6
O1		1.7118	1.4058	1.9798	2.0909	2.0909
Cl2	1.7118		2.5615	3.5015	2.8117	2.8117
C3	1.4058	2.5615		1.1043	1.1067	1.1067
H4	1.9798	3.5015	1.1043		1.8054	1.8054
H5	2.0909	2.8117	1.1067	1.8054		1.8126
H6	2.0909	2.8117	1.1067	1.8054	1.8126

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H4	103.486	O1	C3	H5	112.109
O1	C3	H6	112.109	Cl2	O1	C3	110.109
H4	C3	H5	109.484	H4	C3	H6	109.484
H5	C3	H6	109.953

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

using model chemistry: LSDA/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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Number	Element	Mulliken
1	O	-0.313
2	Cl	0.107
3	C	-0.377
4	H	0.203
5	H	0.190
6	H	0.190

	x	y	z	Total
	1.927	-0.156	0.000	1.933
CHELPG
AIM
ESP

	x	y	z
x	5.211	1.261	0.000
y	1.261	4.949	0.000
z	0.000	0.000	3.678

<r²>	67.418
(<r²>)^1/2	8.211

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

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

States and conformations

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