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	hartrees
Energy at 0K	-570.822179
Energy at 298.15K	-570.825823
HF Energy	-570.822179
Nuclear repulsion energy	103.751975

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3056	3006	7.43
2	A'	2949	2901	17.99
3	A'	1514	1489	15.83
4	A'	1418	1395	0.57
5	A'	1134	1115	10.70
6	A'	973	957	14.59
7	A'	650	639	6.05
8	A'	353	347	6.32
9	A"	3022	2972	28.91
10	A"	1445	1421	17.58
11	A"	1125	1106	0.27
12	A"	267	262	4.66

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.838	0.000
Cl2	-0.822	-0.708	0.000
C3	1.430	0.599	0.000
H4	1.844	1.624	0.000
H5	1.775	0.061	0.903
H6	1.775	0.061	-0.903

	O1	Cl2	C3	H4	H5	H6
O1		1.7509	1.4500	2.0050	2.1373	2.1373
Cl2	1.7509		2.6044	3.5424	2.8551	2.8551
C3	1.4500	2.6044		1.1050	1.1064	1.1064
H4	2.0050	3.5424	1.1050		1.8061	1.8061
H5	2.1373	2.8551	1.1064	1.8061		1.8069
H6	2.1373	2.8551	1.1064	1.8061	1.8069

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H4	102.551	O1	C3	H5	112.765
O1	C3	H6	112.765	Cl2	O1	C3	108.543
H4	C3	H5	109.515	H4	C3	H6	109.515
H5	C3	H6	109.483

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

using model chemistry: LSDA/3-21G

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	-0.362
2	Cl	0.082
3	C	-0.439
4	H	0.258
5	H	0.230
6	H	0.230

	x	y	z	Total
	2.100	-0.100	0.000	2.102
CHELPG
AIM
ESP

	x	y	z
x	4.357	1.348	0.000
y	1.348	3.957	0.000
z	0.000	0.000	2.522

<r²>	68.908
(<r²>)^1/2	8.301

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

using model chemistry: LSDA/3-21G

States and conformations

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