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	hartrees
Energy at 0K	-574.380780
Energy at 298.15K	-574.384497
HF Energy	-573.898809
Nuclear repulsion energy	104.902265

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3207	3048	8.79
2	A'	3074	2922	32.83
3	A'	1515	1440	10.93
4	A'	1458	1386	5.40
5	A'	1200	1140	9.62
6	A'	1058	1006	38.94
7	A'	682	648	2.39
8	A'	371	353	2.84
9	A"	3173	3016	34.67
10	A"	1469	1396	7.02
11	A"	1176	1117	1.53
12	A"	269	256	2.98

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.824	0.000
Cl2	-0.810	-0.707	0.000
C3	1.409	0.610	0.000
H4	1.827	1.628	0.000
H5	1.743	0.070	0.901
H6	1.743	0.070	-0.901

	O1	Cl2	C3	H4	H5	H6
O1		1.7326	1.4248	1.9955	2.1025	2.1025
Cl2	1.7326		2.5799	3.5218	2.8168	2.8168
C3	1.4248	2.5799		1.1002	1.1027	1.1027
H4	1.9955	3.5218	1.1002		1.8015	1.8015
H5	2.1025	2.8168	1.1027	1.8015		1.8026
H6	2.1025	2.8168	1.1027	1.8015	1.8026

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H4	103.681	O1	C3	H5	111.949
O1	C3	H6	111.949	Cl2	O1	C3	109.205
H4	C3	H5	109.730	H4	C3	H6	109.730
H5	C3	H6	109.641

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

using model chemistry: MP2=FULL/cc-pVDZ

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-pVDZ

States and conformations

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