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	hartrees
Energy at 0K	-574.628324
Energy at 298.15K	-574.632062
HF Energy	-573.957506
Nuclear repulsion energy	106.683113

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3190	3029	7.32
2	A'	3085	2929	30.59
3	A'	1539	1461	8.84
4	A'	1477	1402	3.51
5	A'	1208	1147	7.90
6	A'	1064	1010	49.00
7	A'	722	686	5.39
8	A'	376	357	2.54
9	A"	3161	3001	24.53
10	A"	1501	1425	7.93
11	A"	1189	1129	1.36
12	A"	260	247	2.26

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.808	0.000
Cl2	-0.804	-0.680	0.000
C3	1.402	0.576	0.000
H4	1.838	1.568	0.000
H5	1.712	0.035	0.889
H6	1.712	0.035	-0.889

	O1	Cl2	C3	H4	H5	H6
O1		1.6910	1.4206	1.9892	2.0779	2.0779
Cl2	1.6910		2.5384	3.4692	2.7626	2.7626
C3	1.4206	2.5384		1.0837	1.0858	1.0858
H4	1.9892	3.4692	1.0837		1.7765	1.7765
H5	2.0779	2.7626	1.0858	1.7765		1.7775
H6	2.0779	2.7626	1.0858	1.7765	1.7775

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H4	104.377	O1	C3	H5	111.295
O1	C3	H6	111.295	Cl2	O1	C3	109.024
H4	C3	H5	109.943	H4	C3	H6	109.943
H5	C3	H6	109.866

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

using model chemistry: MP2=FULL/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: MP2=FULL/cc-pVTZ

States and conformations

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