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	hartrees
Energy at 0K	-574.088840
Energy at 298.15K	-574.092365
HF Energy	-573.813657
Nuclear repulsion energy	99.225899

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3176	3065	14.91
2	A'	3033	2928	34.70
3	A'	1536	1483	10.51
4	A'	1468	1417	1.60
5	A'	1153	1113	0.94
6	A'	934	902	25.00
7	A'	593	572	2.37
8	A'	327	316	4.18
9	A"	3153	3043	47.79
10	A"	1502	1450	9.37
11	A"	1136	1097	0.26
12	A"	230	222	4.54

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.881	0.000
Cl2	-0.847	-0.778	0.000
C3	1.486	0.690	0.000
H4	1.853	1.727	0.000
H5	1.813	0.157	0.907
H6	1.813	0.157	-0.907

	O1	Cl2	C3	H4	H5	H6
O1		1.8629	1.4979	2.0371	2.1528	2.1528
Cl2	1.8629		2.7561	3.6833	2.9617	2.9617
C3	1.4979	2.7561		1.1003	1.1018	1.1018
H4	2.0371	3.6833	1.1003		1.8139	1.8139
H5	2.1528	2.9617	1.1018	1.8139		1.8134
H6	2.1528	2.9617	1.1018	1.8139	1.8134

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H4	102.180	O1	C3	H5	110.894
O1	C3	H6	110.894	Cl2	O1	C3	109.708
H4	C3	H5	110.918	H4	C3	H6	110.918
H5	C3	H6	110.762

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

using model chemistry: MP2/SDD

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/SDD

States and conformations

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