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	hartrees
Energy at 0K	-575.270070
Energy at 298.15K	-575.273636
HF Energy	-575.270070
Nuclear repulsion energy	102.387956

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3014	3002	14.28
2	A'	2929	2918	30.24
3	A'	1470	1464	14.14
4	A'	1408	1402	1.72
5	A'	1148	1144	17.26
6	A'	922	919	21.09
7	A'	572	570	4.50
8	A'	337	336	5.99
9	A"	2997	2985	44.16
10	A"	1403	1398	7.96
11	A"	1131	1127	0.39
12	A"	260	259	4.33

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.844	0.000
Cl2	-0.820	-0.753	0.000
C3	1.429	0.671	0.000
H4	1.793	1.711	0.000
H5	1.785	0.154	0.904
H6	1.785	0.154	-0.904

	O1	Cl2	C3	H4	H5	H6
O1		1.7950	1.4389	1.9911	2.1168	2.1168
Cl2	1.7950		2.6614	3.5907	2.9029	2.9029
C3	1.4389	2.6614		1.1011	1.1011	1.1011
H4	1.9911	3.5907	1.1011		1.7999	1.7999
H5	2.1168	2.9029	1.1011	1.7999		1.8086
H6	2.1168	2.9029	1.1011	1.7999	1.8086

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H4	102.420	O1	C3	H5	112.211
O1	C3	H6	112.211	Cl2	O1	C3	110.279
H4	C3	H5	109.632	H4	C3	H6	109.632
H5	C3	H6	110.431

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

using model chemistry: BLYP/6-311G**

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	-0.355
2	Cl	0.082
3	C	-0.100
4	H	0.131
5	H	0.121
6	H	0.121

	x	y	z	Total
	2.035	-0.039	0.000	2.036
CHELPG
AIM
ESP

	x	y	z
x	5.075	1.675	0.000
y	1.675	4.730	0.000
z	0.000	0.000	2.859

<r²>	71.166
(<r²>)^1/2	8.436

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

using model chemistry: BLYP/6-311G**

States and conformations

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