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	hartrees
Energy at 0K	-574.072157
Energy at 298.15K	-574.075721
HF Energy	-573.798633
Nuclear repulsion energy	99.680709

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3190	3052	9.09
2	A'	3072	2939	18.34
3	A'	1573	1505	10.16
4	A'	1495	1431	3.73
5	A'	1170	1120	1.34
6	A'	938	898	20.70
7	A'	606	580	1.22
8	A'	331	317	4.61
9	A"	3172	3035	33.53
10	A"	1535	1468	8.02
11	A"	1161	1111	0.59
12	A"	240	229	4.13

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.884	0.000
Cl2	-0.840	-0.777	0.000
C3	1.472	0.686	0.000
H4	1.844	1.716	0.000
H5	1.801	0.156	0.901
H6	1.801	0.156	-0.901

	O1	Cl2	C3	H4	H5	H6
O1		1.8616	1.4854	2.0232	2.1414	2.1414
Cl2	1.8616		2.7361	3.6633	2.9421	2.9421
C3	1.4854	2.7361		1.0950	1.0958	1.0958
H4	2.0232	3.6633	1.0950		1.8019	1.8019
H5	2.1414	2.9421	1.0958	1.8019		1.8019
H6	2.1414	2.9421	1.0958	1.8019	1.8019

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H4	102.208	O1	C3	H5	111.218
O1	C3	H6	111.218	Cl2	O1	C3	109.150
H4	C3	H5	110.666	H4	C3	H6	110.666
H5	C3	H6	110.605

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

using model chemistry: MP2/6-31G

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: MP2/6-31G

States and conformations

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