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	hartrees
Energy at 0K	-574.371200
Energy at 298.15K	-574.374912
HF Energy	-573.874585
Nuclear repulsion energy	105.171130

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3218	3029	13.68
2	A'	3102	2920	33.91
3	A'	1567	1475	8.95
4	A'	1506	1417	10.25
5	A'	1222	1151	7.56
6	A'	1060	998	47.40
7	A'	688	647	2.79
8	A'	375	353	2.68
9	A"	3188	3001	38.02
10	A"	1529	1439	4.38
11	A"	1199	1129	1.92
12	A"	260	245	3.08

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.817	0.000
Cl2	-0.812	-0.701	0.000
C3	1.417	0.606	0.000
H4	1.830	1.613	0.000
H5	1.739	0.069	0.893
H6	1.739	0.069	-0.893

	O1	Cl2	C3	H4	H5	H6
O1		1.7221	1.4323	1.9958	2.0928	2.0928
Cl2	1.7221		2.5840	3.5127	2.8104	2.8104
C3	1.4323	2.5840		1.0886	1.0907	1.0907
H4	1.9958	3.5127	1.0886		1.7857	1.7857
H5	2.0928	2.8104	1.0907	1.7857		1.7866
H6	2.0928	2.8104	1.0907	1.7857	1.7866

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H4	103.860	O1	C3	H5	111.375
O1	C3	H6	111.375	Cl2	O1	C3	109.661
H4	C3	H5	110.055	H4	C3	H6	110.055
H5	C3	H6	109.974

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

using model chemistry: QCISD/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: QCISD/6-31G**

States and conformations

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