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	hartrees
Energy at 0K	-567.517698
Energy at 298.15K	-567.521454
HF Energy	-567.517698
Nuclear repulsion energy	104.211762

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3725	3042	3.14
2	A'	3538	2888	0.44
3	A'	1790	1462	7.65
4	A'	1714	1399	19.60
5	A'	1370	1119	5.39
6	A'	1280	1045	4.06
7	A'	902	736	25.21
8	A'	426	348	3.65
9	A"	3723	3040	0.16
10	A"	1765	1441	4.89
11	A"	1294	1057	3.44
12	A"	261	213	0.74

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.843	0.000
Cl2	-0.820	-0.699	0.000
C3	1.428	0.583	0.000
H4	1.894	1.572	0.000
H5	1.737	0.034	0.894
H6	1.737	0.034	-0.894

	O1	Cl2	C3	H4	H5	H6
O1		1.7467	1.4516	2.0287	2.1140	2.1140
Cl2	1.7467		2.5874	3.5380	2.8056	2.8056
C3	1.4516	2.5874		1.0931	1.0929	1.0929
H4	2.0287	3.5380	1.0931		1.7851	1.7851
H5	2.1140	2.8056	1.0929	1.7851		1.7873
H6	2.1140	2.8056	1.0929	1.7851	1.7873

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H4	104.854	O1	C3	H5	111.586
O1	C3	H6	111.586	Cl2	O1	C3	107.637
H4	C3	H5	109.492	H4	C3	H6	109.492
H5	C3	H6	109.705

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

using model chemistry: HF/STO-3G

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	-0.113
2	Cl	-0.087
3	C	-0.068
4	H	0.093
5	H	0.087
6	H	0.087

	x	y	z	Total
	2.324	0.603	0.000	2.401
CHELPG
AIM
ESP

	x	y	z
x	2.436	1.269	0.000
y	1.269	2.420	0.000
z	0.000	0.000	0.903

<r²>	67.502
(<r²>)^1/2	8.216

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

using model chemistry: HF/STO-3G

States and conformations

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