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	hartrees
Energy at 0K	-573.581955
Energy at 298.15K	-573.585632
HF Energy	-573.581955
Nuclear repulsion energy	105.638813

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3040	3003	5.95
2	A'	2925	2889	28.96
3	A'	1441	1423	13.54
4	A'	1380	1363	0.36
5	A'	1162	1147	24.62
6	A'	1026	1013	20.03
7	A'	649	641	4.35
8	A'	358	354	5.67
9	A"	2996	2959	30.91
10	A"	1368	1351	13.87
11	A"	1134	1120	0.02
12	A"	280	276	5.10

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.815	0.000
Cl2	-0.799	-0.712	0.000
C3	1.387	0.625	0.000
H4	1.786	1.653	0.000
H5	1.741	0.095	0.904
H6	1.741	0.095	-0.904

	O1	Cl2	C3	H4	H5	H6
O1		1.7234	1.3996	1.9725	2.0889	2.0889
Cl2	1.7234		2.5622	3.5034	2.8141	2.8141
C3	1.3996	2.5622		1.1027	1.1055	1.1055
H4	1.9725	3.5034	1.1027		1.8011	1.8011
H5	2.0889	2.8141	1.1055	1.8011		1.8076
H6	2.0889	2.8141	1.1055	1.8011	1.8076

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H4	103.406	O1	C3	H5	112.467
O1	C3	H6	112.467	Cl2	O1	C3	109.825
H4	C3	H5	109.296	H4	C3	H6	109.296
H5	C3	H6	109.681

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

using model chemistry: LSDA/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	-0.360
2	Cl	0.115
3	C	-0.257
4	H	0.176
5	H	0.163
6	H	0.163

	x	y	z	Total
	1.919	-0.149	0.000	1.925
CHELPG
AIM
ESP

	x	y	z
x	4.884	1.453	0.000
y	1.453	4.436	0.000
z	0.000	0.000	2.916

<r²>	67.549
(<r²>)^1/2	8.219

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

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

States and conformations

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