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	hartrees
Energy at 0K	-574.480643
Energy at 298.15K	-574.484378
HF Energy	-573.919026
Nuclear repulsion energy	105.486616

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3203	3034	9.18
2	A'	3076	2913	31.77
3	A'	1552	1469	12.27
4	A'	1502	1422	1.35
5	A'	1226	1161	8.11
6	A'	1063	1007	44.40
7	A'	675	639	2.84
8	A'	375	355	2.81
9	A"	3166	2999	35.29
10	A"	1510	1430	9.04
11	A"	1204	1140	0.75
12	A"	280	265	3.91

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.817	0.000
Cl2	-0.807	-0.702	0.000
C3	1.407	0.607	0.000
H4	1.819	1.616	0.000
H5	1.731	0.070	0.895
H6	1.731	0.070	-0.895

	O1	Cl2	C3	H4	H5	H6
O1		1.7194	1.4229	1.9867	2.0870	2.0870
Cl2	1.7194		2.5722	3.5024	2.8000	2.8000
C3	1.4229	2.5722		1.0898	1.0926	1.0926
H4	1.9867	3.5024	1.0898		1.7884	1.7884
H5	2.0870	2.8000	1.0926	1.7884		1.7895
H6	2.0870	2.8000	1.0926	1.7884	1.7895

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H4	103.703	O1	C3	H5	111.452
O1	C3	H6	111.452	Cl2	O1	C3	109.518
H4	C3	H5	110.062	H4	C3	H6	110.062
H5	C3	H6	109.956

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-311G*

States and conformations

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