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	hartrees
Energy at 0K	-574.448714
Energy at 298.15K	-574.452441
HF Energy	-573.923414
Nuclear repulsion energy	105.229873

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3159	3014	12.87
2	A'	3049	2909	35.25
3	A'	1532	1462	14.26
4	A'	1491	1422	4.35
5	A'	1221	1165	11.05
6	A'	1065	1017	46.25
7	A'	660	630	2.45
8	A'	375	358	2.40
9	A"	3123	2980	40.40
10	A"	1490	1421	5.66
11	A"	1201	1145	1.72
12	A"	275	262	3.61

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.817	0.000
Cl2	-0.809	-0.705	0.000
C3	1.409	0.612	0.000
H4	1.826	1.623	0.000
H5	1.736	0.073	0.897
H6	1.736	0.073	-0.897

	O1	Cl2	C3	H4	H5	H6
O1		1.7239	1.4239	1.9957	2.0908	2.0908
Cl2	1.7239		2.5796	3.5160	2.8083	2.8083
C3	1.4239	2.5796		1.0935	1.0960	1.0960
H4	1.9957	3.5160	1.0935		1.7928	1.7928
H5	2.0908	2.8083	1.0960	1.7928		1.7931
H6	2.0908	2.8083	1.0960	1.7928	1.7931

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H4	104.121	O1	C3	H5	111.474
O1	C3	H6	111.474	Cl2	O1	C3	109.703
H4	C3	H5	109.933	H4	C3	H6	109.933
H5	C3	H6	109.776

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

using model chemistry: QCISD/6-311G**

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: QCISD/6-311G**

States and conformations

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