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	hartrees
Energy at 0K	-574.366685
Energy at 298.15K	-574.370414
HF Energy	-573.875014
Nuclear repulsion energy	105.461729

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3230	3029	13.28
2	A'	3114	2920	31.33
3	A'	1571	1473	8.70
4	A'	1515	1420	8.82
5	A'	1231	1154	7.56
6	A'	1082	1014	47.49
7	A'	707	663	2.94
8	A'	379	355	2.59
9	A"	3202	3002	36.01
10	A"	1535	1439	4.63
11	A"	1205	1130	2.08
12	A"	259	243	3.08

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.813	0.000
Cl2	-0.811	-0.699	0.000
C3	1.413	0.605	0.000
H4	1.828	1.611	0.000
H5	1.736	0.069	0.893
H6	1.736	0.069	-0.893

	O1	Cl2	C3	H4	H5	H6
O1		1.7155	1.4284	1.9943	2.0891	2.0891
Cl2	1.7155		2.5777	3.5064	2.8055	2.8055
C3	1.4284	2.5777		1.0879	1.0900	1.0900
H4	1.9943	3.5064	1.0879		1.7839	1.7839
H5	2.0891	2.8055	1.0900	1.7839		1.7852
H6	2.0891	2.8055	1.0900	1.7839	1.7852

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H4	104.021	O1	C3	H5	111.387
O1	C3	H6	111.387	Cl2	O1	C3	109.811
H4	C3	H5	109.980	H4	C3	H6	109.980
H5	C3	H6	109.945

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

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

States and conformations

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