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	hartrees
Energy at 0K	-574.332729
Energy at 298.15K	-574.336450
HF Energy	-573.869920
Nuclear repulsion energy	105.374293

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3227	3041	8.44
2	A'	3102	2922	26.79
3	A'	1570	1479	9.15
4	A'	1509	1422	4.62
5	A'	1222	1152	5.62
6	A'	1058	997	44.58
7	A'	703	663	3.31
8	A'	376	354	3.08
9	A"	3195	3010	29.73
10	A"	1533	1444	6.51
11	A"	1200	1130	0.97
12	A"	266	251	3.30

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.816	0.000
Cl2	-0.811	-0.696	0.000
C3	1.416	0.597	0.000
H4	1.829	1.607	0.000
H5	1.736	0.059	0.896
H6	1.736	0.059	-0.896

	O1	Cl2	C3	H4	H5	H6
O1		1.7164	1.4324	1.9926	2.0954	2.0954
Cl2	1.7164		2.5755	3.5038	2.8042	2.8042
C3	1.4324	2.5755		1.0909	1.0934	1.0934
H4	1.9926	3.5038	1.0909		1.7910	1.7910
H5	2.0954	2.8042	1.0934	1.7910		1.7921
H6	2.0954	2.8042	1.0934	1.7910	1.7921

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H4	103.484	O1	C3	H5	111.408
O1	C3	H6	111.408	Cl2	O1	C3	109.428
H4	C3	H5	110.155	H4	C3	H6	110.155
H5	C3	H6	110.065

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

using model chemistry: MP2=FULL/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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All results from a given calculation for CH3OCl (methyl hypochlorite)

using model chemistry: MP2=FULL/6-31G*

States and conformations

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