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	hartrees
Energy at 0K	-573.958932
Energy at 298.15K	-573.962744
HF Energy	-573.958932
Nuclear repulsion energy	107.959259

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3264	2941	19.40
2	A'	3171	2857	43.96
3	A'	1627	1466	10.69
4	A'	1591	1434	8.70
5	A'	1312	1182	9.98
6	A'	1158	1043	97.25
7	A'	801	721	7.92
8	A'	404	364	2.15
9	A"	3241	2920	41.35
10	A"	1600	1442	7.16
11	A"	1279	1153	3.19
12	A"	248	223	2.52

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.764	0.000
Cl2	-0.803	-0.675	0.000
C3	1.398	0.601	0.000
H4	1.801	1.603	0.000
H5	1.727	0.073	0.886
H6	1.727	0.073	-0.886

	O1	Cl2	C3	H4	H5	H6
O1		1.6475	1.4077	1.9871	2.0604	2.0604
Cl2	1.6475		2.5435	3.4594	2.7826	2.7826
C3	1.4077	2.5435		1.0804	1.0822	1.0822
H4	1.9871	3.4594	1.0804		1.7694	1.7694
H5	2.0604	2.7826	1.0822	1.7694		1.7715
H6	2.0604	2.7826	1.0822	1.7694	1.7715

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H4	105.241	O1	C3	H5	111.013
O1	C3	H6	111.013	Cl2	O1	C3	112.484
H4	C3	H5	109.810	H4	C3	H6	109.810
H5	C3	H6	109.859

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

using model chemistry: ROHF/cc-pVTZ

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	-0.299
2	Cl	0.057
3	C	-0.017
4	H	0.104
5	H	0.077
6	H	0.077

	x	y	z	Total
	1.865	-0.179	0.000	1.874
CHELPG
AIM
ESP

<r²>	65.615
(<r²>)^1/2	8.100

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

using model chemistry: ROHF/cc-pVTZ

States and conformations

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