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	hartrees
Energy at 0K	-574.596806
Energy at 298.15K	-574.600529
HF Energy	-573.957423
Nuclear repulsion energy	106.366096

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3154	3014	11.02
2	A'	3050	2914	33.53
3	A'	1531	1462	9.41
4	A'	1478	1412	5.02
5	A'	1217	1163	8.65
6	A'	1069	1021	53.80
7	A'	713	681	4.08
8	A'	378	361	2.33
9	A"	3127	2988	29.71
10	A"	1493	1427	6.79
11	A"	1191	1138	1.75
12	A"	250	239	2.28

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.804	0.000
Cl2	-0.807	-0.684	0.000
C3	1.406	0.587	0.000
H4	1.837	1.587	0.000
H5	1.724	0.047	0.893
H6	1.724	0.047	-0.893

	O1	Cl2	C3	H4	H5	H6
O1		1.6929	1.4230	1.9973	2.0832	2.0832
Cl2	1.6929		2.5530	3.4860	2.7815	2.7815
C3	1.4230	2.5530		1.0884	1.0904	1.0904
H4	1.9973	3.4860	1.0884		1.7833	1.7833
H5	2.0832	2.7815	1.0904	1.7833		1.7852
H6	2.0832	2.7815	1.0904	1.7833	1.7852

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H4	104.572	O1	C3	H5	111.266
O1	C3	H6	111.266	Cl2	O1	C3	109.732
H4	C3	H5	109.862	H4	C3	H6	109.862
H5	C3	H6	109.894

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

using model chemistry: QCISD/cc-pVTZ

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/cc-pVTZ

States and conformations

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