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	hartrees
Energy at 0K	-574.390586
Energy at 298.15K	-574.394303
HF Energy	-573.879345
Nuclear repulsion energy	105.565145

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3248	3026	10.37
2	A'	3131	2917	33.58
3	A'	1567	1460	9.73
4	A'	1515	1411	5.61
5	A'	1233	1148	9.68
6	A'	1080	1006	49.80
7	A'	706	658	3.90
8	A'	377	351	2.65
9	A"	3221	3001	30.25
10	A"	1529	1424	6.54
11	A"	1204	1122	2.46
12	A"	250	233	3.29

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.796	0.000
Cl2	-0.810	-0.693	0.000
C3	1.412	0.608	0.000
H4	1.816	1.616	0.000
H5	1.740	0.076	0.892
H6	1.740	0.076	-0.892

	O1	Cl2	C3	H4	H5	H6
O1		1.6949	1.4239	1.9928	2.0830	2.0830
Cl2	1.6949		2.5744	3.4968	2.8082	2.8082
C3	1.4239	2.5744		1.0859	1.0890	1.0890
H4	1.9928	3.4968	1.0859		1.7809	1.7809
H5	2.0830	2.8082	1.0890	1.7809		1.7836
H6	2.0830	2.8082	1.0890	1.7809	1.7836

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H4	104.317	O1	C3	H5	111.281
O1	C3	H6	111.281	Cl2	O1	C3	110.974
H4	C3	H5	109.942	H4	C3	H6	109.942
H5	C3	H6	109.948

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

using model chemistry: MP3=FULL/6-31+G**

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: MP3=FULL/6-31+G**

States and conformations

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