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	hartrees
Energy at 0K	-574.622039
Energy at 298.15K	-574.625735
HF Energy	-573.956449
Nuclear repulsion energy	105.821168

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3134	2973
2	A'	3028	2872
3	A'	1518	1440
4	A'	1460	1385
5	A'	1200	1139
6	A'	1042	989
7	A'	681	646
8	A'	372	353
9	A"	3106	2946
10	A"	1477	1401
11	A"	1177	1116
12	A"	252	239

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.814	0.000
Cl2	-0.809	-0.690	0.000
C3	1.410	0.589	0.000
H4	1.843	1.590	0.000
H5	1.724	0.047	0.894
H6	1.724	0.047	-0.894

	O1	Cl2	C3	H4	H5	H6
O1		1.7079	1.4276	1.9999	2.0886	2.0886
Cl2	1.7079		2.5611	3.4974	2.7858	2.7858
C3	1.4276	2.5611		1.0903	1.0923	1.0923
H4	1.9999	3.4974	1.0903		1.7872	1.7872
H5	2.0886	2.7858	1.0923	1.7872		1.7888
H6	2.0886	2.7858	1.0923	1.7872	1.7888

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H4	104.371	O1	C3	H5	111.263
O1	C3	H6	111.263	Cl2	O1	C3	109.204
H4	C3	H5	109.937	H4	C3	H6	109.937
H5	C3	H6	109.941

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

using model chemistry: QCISD(T)/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(T)/cc-pVTZ

States and conformations

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