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	hartrees
Energy at 0K	-570.822179
Energy at 298.15K	-570.825818
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	3001	7.43
2	A'	2949	2896	17.99
3	A'	1514	1486	15.83
4	A'	1418	1393	0.57
5	A'	1134	1113	10.70
6	A'	973	955	14.59
7	A'	650	638	6.05
8	A'	353	346	6.32
9	A"	3022	2967	28.91
10	A"	1445	1419	17.58
11	A"	1125	1104	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)