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	hartrees
Energy at 0K	-574.403542
Energy at 298.15K	-574.407241
HF Energy	-573.898429
Nuclear repulsion energy	104.579847

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3164	3035	11.91
2	A'	3049	2925	36.05
3	A'	1512	1450	11.64
4	A'	1458	1399	8.07
5	A'	1202	1153	11.56
6	A'	1056	1013	42.85
7	A'	665	638	2.62
8	A'	371	356	2.67
9	A"	3134	3007	39.41
10	A"	1467	1407	5.82
11	A"	1175	1127	2.06
12	A"	262	252	2.94

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.825	0.000
Cl2	-0.812	-0.712	0.000
C3	1.412	0.619	0.000
H4	1.829	1.641	0.000
H5	1.748	0.079	0.904
H6	1.748	0.079	-0.904

	O1	Cl2	C3	H4	H5	H6
O1		1.7379	1.4269	2.0031	2.1047	2.1047
Cl2	1.7379		2.5916	3.5370	2.8275	2.8275
C3	1.4269	2.5916		1.1036	1.1057	1.1057
H4	2.0031	3.5370	1.1036		1.8067	1.8067
H5	2.1047	2.8275	1.1057	1.8067		1.8085
H6	2.1047	2.8275	1.1057	1.8067	1.8085

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H4	103.929	O1	C3	H5	111.787
O1	C3	H6	111.787	Cl2	O1	C3	109.550
H4	C3	H5	109.723	H4	C3	H6	109.723
H5	C3	H6	109.738

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

using model chemistry: QCISD/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: QCISD/cc-pVDZ

States and conformations

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