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	hartrees
Energy at 0K	-575.229402
Energy at 298.15K	-575.233129
HF Energy	-575.229402
Nuclear repulsion energy	105.969685

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3151	3151	6.37
2	A'	3047	3047	26.26
3	A'	1519	1519	13.26
4	A'	1471	1471	2.00
5	A'	1216	1216	17.87
6	A'	1073	1073	43.46
7	A'	711	711	3.79
8	A'	382	382	3.10
9	A"	3128	3128	26.81
10	A"	1475	1475	9.53
11	A"	1187	1187	0.76
12	A"	254	254	3.78

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.803	0.000
Cl2	-0.807	-0.697	0.000
C3	1.406	0.609	0.000
H4	1.815	1.620	0.000
H5	1.731	0.074	0.896
H6	1.731	0.074	-0.896

	O1	Cl2	C3	H4	H5	H6
O1		1.7031	1.4192	1.9899	2.0812	2.0812
Cl2	1.7031		2.5690	3.4982	2.7996	2.7996
C3	1.4192	2.5690		1.0904	1.0928	1.0928
H4	1.9899	3.4982	1.0904		1.7884	1.7884
H5	2.0812	2.7996	1.0928	1.7884		1.7915
H6	2.0812	2.7996	1.0928	1.7884	1.7915

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H4	104.149	O1	C3	H5	111.227
O1	C3	H6	111.227	Cl2	O1	C3	110.402
H4	C3	H5	109.999	H4	C3	H6	109.999
H5	C3	H6	110.095

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

using model chemistry: M06-2X/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	-0.409
2	Cl	0.126
3	C	-0.164
4	H	0.155
5	H	0.146
6	H	0.146

	x	y	z	Total
	1.980	-0.290	0.000	2.001
CHELPG
AIM
ESP

	x	y	z
x	4.505	1.342	0.000
y	1.342	4.203	0.000
z	0.000	0.000	2.735

<r²>	67.256
(<r²>)^1/2	8.201

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

using model chemistry: M06-2X/6-311G**

States and conformations

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