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	hartrees
Energy at 0K	-573.925344
Energy at 298.15K	-573.929159
HF Energy	-573.925344
Nuclear repulsion energy	107.195440

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3282	2982	18.80
2	A'	3179	2888	42.86
3	A'	1627	1478	14.25
4	A'	1591	1446	10.46
5	A'	1311	1191	16.46
6	A'	1153	1047	87.15
7	A'	769	698	7.08
8	A'	401	364	2.19
9	A"	3254	2956	47.73
10	A"	1598	1452	7.02
11	A"	1279	1162	2.74
12	A"	262	238	3.92

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.775	0.000
Cl2	-0.803	-0.688	0.000
C3	1.400	0.615	0.000
H4	1.793	1.622	0.000
H5	1.731	0.089	0.888
H6	1.731	0.089	-0.888

	O1	Cl2	C3	H4	H5	H6
O1		1.6688	1.4091	1.9830	2.0630	2.0630
Cl2	1.6688		2.5592	3.4751	2.7951	2.7951
C3	1.4091	2.5592		1.0817	1.0840	1.0840
H4	1.9830	3.4751	1.0817		1.7735	1.7735
H5	2.0630	2.7951	1.0840	1.7735		1.7764
H6	2.0630	2.7951	1.0840	1.7735	1.7764

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H4	104.765	O1	C3	H5	111.011
O1	C3	H6	111.011	Cl2	O1	C3	112.228
H4	C3	H5	109.946	H4	C3	H6	109.946
H5	C3	H6	110.045

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

using model chemistry: HF/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	-0.469
2	Cl	0.133
3	C	0.023
4	H	0.112
5	H	0.100
6	H	0.100

	x	y	z	Total
	2.054	-0.341	0.000	2.082
CHELPG
AIM
ESP

	x	y	z
x	4.215	1.327	0.000
y	1.327	4.092	0.000
z	0.000	0.000	2.618

<r²>	66.396
(<r²>)^1/2	8.148

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

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

States and conformations

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