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	hartrees
Energy at 0K	-574.091235
Energy at 298.15K	-574.094797
HF Energy	-573.798919
Nuclear repulsion energy	99.794193

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3135	3008	10.57
2	A'	3036	2913	16.41
3	A'	1555	1492	9.84
4	A'	1485	1425	2.55
5	A'	1174	1126	1.78
6	A'	962	923	22.76
7	A'	603	579	0.81
8	A'	334	321	4.54
9	A"	3127	3001	32.69
10	A"	1517	1456	8.09
11	A"	1160	1113	0.95
12	A"	234	224	4.11

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.878	0.000
Cl2	-0.837	-0.781	0.000
C3	1.466	0.697	0.000
H4	1.836	1.732	0.000
H5	1.801	0.169	0.904
H6	1.801	0.169	-0.904

	O1	Cl2	C3	H4	H5	H6
O1		1.8587	1.4772	2.0251	2.1360	2.1360
Cl2	1.8587		2.7369	3.6694	2.9462	2.9462
C3	1.4772	2.7369		1.0993	1.0990	1.0990
H4	2.0251	3.6694	1.0993		1.8059	1.8059
H5	2.1360	2.9462	1.0990	1.8059		1.8078
H6	2.1360	2.9462	1.0990	1.8059	1.8078

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H4	102.635	O1	C3	H5	111.175
O1	C3	H6	111.175	Cl2	O1	C3	109.730
H4	C3	H5	110.469	H4	C3	H6	110.469
H5	C3	H6	110.669

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)