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	hartrees
Energy at 0K	-571.531828
Energy at 298.15K	-571.535464
HF Energy	-571.166853
Nuclear repulsion energy	102.450039

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3192	3026	7.96
2	A'	3091	2930	14.94
3	A'	1608	1524	8.86
4	A'	1512	1433	6.85
5	A'	1184	1123	1.65
6	A'	955	906	20.02
7	A'	636	603	2.45
8	A'	358	339	3.88
9	A"	3172	3007	27.12
10	A"	1570	1489	7.71
11	A"	1169	1108	0.19
12	A"	253	240	3.04

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.851	0.000
Cl2	-0.840	-0.706	0.000
C3	1.472	0.586	0.000
H4	1.894	1.593	0.000
H5	1.778	0.042	0.896
H6	1.778	0.042	-0.896

	O1	Cl2	C3	H4	H5	H6
O1		1.7694	1.4956	2.0346	2.1497	2.1497
Cl2	1.7694		2.6489	3.5728	2.8670	2.8670
C3	1.4956	2.6489		1.0919	1.0927	1.0927
H4	2.0346	3.5728	1.0919		1.7955	1.7955
H5	2.1497	2.8670	1.0927	1.7955		1.7929
H6	2.1497	2.8670	1.0927	1.7955	1.7929

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H4	102.565	O1	C3	H5	111.357
O1	C3	H6	111.357	Cl2	O1	C3	108.151
H4	C3	H5	110.549	H4	C3	H6	110.549
H5	C3	H6	110.253

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

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

using model chemistry: MP2=FULL/3-21G*

States and conformations

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