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	hartrees
Energy at 0K	-129.063472
Energy at 298.15K	-129.067147
HF Energy	-129.063472
Nuclear repulsion energy	61.925608

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3359	3023	16.35
2	A'	3240	2916	46.57
3	A'	1648	1483	14.59
4	A'	1586	1427	10.05
5	A'	1278	1150	17.73
6	A'	1074	966	70.04
7	A'	688	619	20.04
8	A'	366	329	2.58
9	A"	3351	3015	50.05
10	A"	1622	1460	13.38
11	A"	1257	1131	1.32
12	A"	229	206	4.87

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.820	0.000
Cl2	-0.825	-0.751	0.000
C3	1.446	0.690	0.000
H4	1.790	1.713	0.000
H5	1.781	0.176	0.889
H6	1.781	0.176	-0.889

	O1	Cl2	C3	H4	H5	H6
O1		1.7745	1.4515	2.0004	2.0919	2.0919
Cl2	1.7745		2.6892	3.5929	2.9052	2.9052
C3	1.4515	2.6892		1.0794	1.0798	1.0798
H4	2.0004	3.5929	1.0794		1.7751	1.7751
H5	2.0919	2.9052	1.0798	1.7751		1.7773
H6	2.0919	2.9052	1.0798	1.7751	1.7773

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H4	103.465	O1	C3	H5	110.606
O1	C3	H6	110.606	Cl2	O1	C3	112.558
H4	C3	H5	110.594	H4	C3	H6	110.594
H5	C3	H6	110.766

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

using model chemistry: HF/LANL2DZ

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	-0.480
2	Cl	0.128
3	C	-0.271
4	H	0.216
5	H	0.203
6	H	0.203

	x	y	z	Total
	2.800	-0.276	0.000	2.814
CHELPG
AIM
ESP

	x	y	z
x	3.783	1.954	0.000
y	1.954	4.534	0.000
z	0.000	0.000	1.757

<r²>	58.181
(<r²>)^1/2	7.628

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

using model chemistry: HF/LANL2DZ

States and conformations

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