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	hartrees
Energy at 0K	-575.207812
Energy at 298.15K	-575.211397
HF Energy	-575.207812
Nuclear repulsion energy	102.813148

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3033	3010	14.28
2	A'	2943	2920	30.89
3	A'	1485	1474	12.54
4	A'	1416	1405	4.69
5	A'	1154	1145	14.87
6	A'	944	937	22.11
7	A'	597	592	3.73
8	A'	344	341	5.60
9	A"	3016	2993	42.43
10	A"	1421	1410	5.74
11	A"	1138	1129	0.49
12	A"	258	256	3.56

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.840	0.000
Cl2	-0.820	-0.742	0.000
C3	1.428	0.655	0.000
H4	1.804	1.692	0.000
H5	1.784	0.133	0.904
H6	1.784	0.133	-0.904

	O1	Cl2	C3	H4	H5	H6
O1		1.7811	1.4394	1.9952	2.1210	2.1210
Cl2	1.7811		2.6462	3.5788	2.8917	2.8917
C3	1.4394	2.6462		1.1032	1.1033	1.1033
H4	1.9952	3.5788	1.1032		1.8026	1.8026
H5	2.1210	2.8917	1.1033	1.8026		1.8088
H6	2.1210	2.8917	1.1033	1.8026	1.8088

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H4	102.583	O1	C3	H5	112.379
O1	C3	H6	112.379	Cl2	O1	C3	110.051
H4	C3	H5	109.557	H4	C3	H6	109.557
H5	C3	H6	110.107

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

using model chemistry: BLYP/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	-0.414
2	Cl	0.114
3	C	-0.054
4	H	0.128
5	H	0.113
6	H	0.113

	x	y	z	Total
	1.900	-0.035	0.000	1.901
CHELPG
AIM
ESP

	x	y	z
x	4.735	1.492	0.000
y	1.492	4.479	0.000
z	0.000	0.000	2.857

<r²>	70.245
(<r²>)^1/2	8.381

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

using model chemistry: BLYP/6-31G**

States and conformations

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