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	hartrees
Energy at 0K	-573.876499
Energy at 298.15K	-573.880308
HF Energy	-573.876499
Nuclear repulsion energy	107.201438

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3300	2820	19.22
2	A'	3197	2733	42.05
3	A'	1639	1401	10.35
4	A'	1599	1366	13.76
5	A'	1315	1123	12.92
6	A'	1160	991	86.44
7	A'	788	673	7.50
8	A'	403	345	2.46
9	A"	3279	2802	44.58
10	A"	1611	1376	5.66
11	A"	1280	1094	3.13
12	A"	256	219	3.44

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.776	0.000
Cl2	-0.804	-0.685	0.000
C3	1.402	0.610	0.000
H4	1.798	1.617	0.000
H5	1.732	0.084	0.887
H6	1.732	0.084	-0.887

	O1	Cl2	C3	H4	H5	H6
O1		1.6677	1.4112	1.9852	2.0654	2.0654
Cl2	1.6677		2.5582	3.4746	2.7950	2.7950
C3	1.4112	2.5582		1.0819	1.0835	1.0835
H4	1.9852	3.4746	1.0819		1.7726	1.7726
H5	2.0654	2.7950	1.0835	1.7726		1.7749
H6	2.0654	2.7950	1.0835	1.7726	1.7749

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H4	104.784	O1	C3	H5	111.086
O1	C3	H6	111.086	Cl2	O1	C3	112.113
H4	C3	H5	109.893	H4	C3	H6	109.893
H5	C3	H6	109.985

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

using model chemistry: ROHF/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	-0.587
2	Cl	0.207
3	C	-0.020
4	H	0.146
5	H	0.127
6	H	0.127

	x	y	z	Total
	2.006	-0.330	0.000	2.033
CHELPG
AIM
ESP

<r²>	66.204
(<r²>)^1/2	8.137

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

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

States and conformations

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