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	hartrees
Energy at 0K	-574.063717
Energy at 298.15K	-574.067332
HF Energy	-573.801036
Nuclear repulsion energy	100.753237

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3200	2993	9.40
2	A'	3099	2898	17.70
3	A'	1583	1481	10.98
4	A'	1515	1417	4.86
5	A'	1203	1125	4.96
6	A'	995	931	31.03
7	A'	645	603	2.59
8	A'	345	323	4.18
9	A"	3190	2983	31.70
10	A"	1546	1446	9.05
11	A"	1187	1110	1.18
12	A"	236	221	4.30

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.861	0.000
Cl2	-0.833	-0.770	0.000
C3	1.458	0.692	0.000
H4	1.822	1.723	0.000
H5	1.793	0.168	0.899
H6	1.793	0.168	-0.899

	O1	Cl2	C3	H4	H5	H6
O1		1.8315	1.4680	2.0154	2.1226	2.1226
Cl2	1.8315		2.7177	3.6418	2.9301	2.9301
C3	1.4680	2.7177		1.0935	1.0934	1.0934
H4	2.0154	3.6418	1.0935		1.7968	1.7968
H5	2.1226	2.9301	1.0934	1.7968		1.7984
H6	2.1226	2.9301	1.0934	1.7968	1.7984

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H4	102.797	O1	C3	H5	111.090
O1	C3	H6	111.090	Cl2	O1	C3	110.428
H4	C3	H5	110.492	H4	C3	H6	110.492
H5	C3	H6	110.644

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

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

States and conformations

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