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	hartrees
Energy at 0K	-574.096738
Energy at 298.15K	-574.100257
HF Energy	-573.797453
Nuclear repulsion energy	99.186273

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3128	3014	10.10
2	A'	3028	2917	17.30
3	A'	1551	1494	10.76
4	A'	1472	1419	5.29
5	A'	1161	1118	3.95
6	A'	922	889	23.53
7	A'	567	547	2.95
8	A'	326	314	4.66
9	A"	3121	3008	31.47
10	A"	1510	1455	7.87
11	A"	1152	1110	0.73
12	A"	235	226	3.90

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.890	0.000
Cl2	-0.841	-0.788	0.000
C3	1.474	0.700	0.000
H4	1.843	1.735	0.000
H5	1.803	0.170	0.905
H6	1.803	0.170	-0.905

	O1	Cl2	C3	H4	H5	H6
O1		1.8762	1.4861	2.0280	2.1420	2.1420
Cl2	1.8762		2.7513	3.6837	2.9541	2.9541
C3	1.4861	2.7513		1.0997	1.0990	1.0990
H4	2.0280	3.6837	1.0997		1.8085	1.8085
H5	2.1420	2.9541	1.0990	1.8085		1.8100
H6	2.1420	2.9541	1.0990	1.8085	1.8100

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H4	102.279	O1	C3	H5	111.026
O1	C3	H6	111.026	Cl2	O1	C3	109.277
H4	C3	H5	110.679	H4	C3	H6	110.679
H5	C3	H6	110.868

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

using model chemistry: QCISD/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: QCISD/6-31G

States and conformations

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