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	hartrees
Energy at 0K	-574.357148
Energy at 298.15K	-574.360878
HF Energy	-573.874891
Nuclear repulsion energy	105.497352

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3254	3041	9.91
2	A'	3122	2917	30.07
3	A'	1572	1469	8.64
4	A'	1507	1408	7.28
5	A'	1221	1141	6.12
6	A'	1062	992	43.73
7	A'	704	658	3.26
8	A'	376	351	2.81
9	A"	3220	3009	32.55
10	A"	1533	1432	5.32
11	A"	1200	1121	1.43
12	A"	267	249	3.14

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.816	0.000
Cl2	-0.810	-0.696	0.000
C3	1.413	0.598	0.000
H4	1.827	1.602	0.000
H5	1.734	0.061	0.891
H6	1.734	0.061	-0.891

	O1	Cl2	C3	H4	H5	H6
O1		1.7162	1.4301	1.9888	2.0909	2.0909
Cl2	1.7162		2.5727	3.4982	2.8002	2.8002
C3	1.4301	2.5727		1.0861	1.0887	1.0887
H4	1.9888	3.4982	1.0861		1.7825	1.7825
H5	2.0909	2.8002	1.0887	1.7825		1.7827
H6	2.0909	2.8002	1.0887	1.7825	1.7827

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H4	103.597	O1	C3	H5	111.499
O1	C3	H6	111.499	Cl2	O1	C3	109.368
H4	C3	H5	110.089	H4	C3	H6	110.089
H5	C3	H6	109.914

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)