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	hartrees
Energy at 0K	-575.168359
Energy at 298.15K	-575.172098
HF Energy	-575.168359
Nuclear repulsion energy	106.217186

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3169	3012	9.12
2	A'	3062	2910	29.38
3	A'	1528	1452	10.10
4	A'	1474	1401	4.82
5	A'	1218	1158	15.72
6	A'	1088	1034	43.63
7	A'	737	700	4.01
8	A'	386	367	3.27
9	A"	3146	2990	31.58
10	A"	1484	1410	7.50
11	A"	1187	1128	1.23
12	A"	257	244	2.98

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.801	0.000
Cl2	-0.807	-0.690	0.000
C3	1.405	0.599	0.000
H4	1.822	1.608	0.000
H5	1.730	0.061	0.896
H6	1.730	0.061	-0.896

	O1	Cl2	C3	H4	H5	H6
O1		1.6955	1.4198	1.9931	2.0847	2.0847
Cl2	1.6955		2.5600	3.4921	2.7936	2.7936
C3	1.4198	2.5600		1.0925	1.0947	1.0947
H4	1.9931	3.4921	1.0925		1.7908	1.7908
H5	2.0847	2.7936	1.0947	1.7908		1.7928
H6	2.0847	2.7936	1.0947	1.7908	1.7928

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H4	104.235	O1	C3	H5	111.349
O1	C3	H6	111.349	Cl2	O1	C3	110.205
H4	C3	H5	109.917	H4	C3	H6	109.917
H5	C3	H6	109.939

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

using model chemistry: M06-2X/6-31G**

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	-0.497
2	Cl	0.174
3	C	-0.107
4	H	0.156
5	H	0.137
6	H	0.137

	x	y	z	Total
	1.880	-0.257	0.000	1.897
CHELPG
AIM
ESP

	x	y	z
x	4.285	1.219	0.000
y	1.219	4.104	0.000
z	0.000	0.000	2.843

<r²>	66.696
(<r²>)^1/2	8.167

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

using model chemistry: M06-2X/6-31G**

States and conformations

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