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	hartrees
Energy at 0K	-571.354428
Energy at 298.15K	-571.358004
HF Energy	-571.058291
Nuclear repulsion energy	99.725673

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3115	3019	9.96
2	A'	3034	2940	14.63
3	A'	1584	1536	10.11
4	A'	1485	1439	9.14
5	A'	1165	1129	3.32
6	A'	935	906	15.14
7	A'	585	567	5.59
8	A'	337	327	4.44
9	A"	3112	3016	29.37
10	A"	1543	1495	6.95
11	A"	1155	1119	0.17
12	A"	250	243	3.22

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.895	0.000
Cl2	-0.842	-0.764	0.000
C3	1.475	0.654	0.000
H4	1.882	1.673	0.000
H5	1.794	0.116	0.901
H6	1.794	0.116	-0.901

	O1	Cl2	C3	H4	H5	H6
O1		1.8609	1.4950	2.0366	2.1533	2.1533
Cl2	1.8609		2.7170	3.6556	2.9216	2.9216
C3	1.4950	2.7170		1.0977	1.0964	1.0964
H4	2.0366	3.6556	1.0977		1.8012	1.8012
H5	2.1533	2.9216	1.0964	1.8012		1.8018
H6	2.1533	2.9216	1.0964	1.8012	1.8018

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H4	102.457	O1	C3	H5	111.460
O1	C3	H6	111.460	Cl2	O1	C3	107.619
H4	C3	H5	110.355	H4	C3	H6	110.355
H5	C3	H6	110.506

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

using model chemistry: QCISD/3-21G

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/3-21G

States and conformations

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