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	hartrees
Energy at 0K	-574.066746
Energy at 298.15K	-574.070347
HF Energy	-573.800611
Nuclear repulsion energy	100.501794

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3196	2998	9.27
2	A'	3096	2903	18.21
3	A'	1581	1483	11.37
4	A'	1510	1416	6.33
5	A'	1198	1124	6.22
6	A'	978	917	31.42
7	A'	630	591	4.43
8	A'	342	321	4.24
9	A"	3188	2990	31.13
10	A"	1544	1448	8.93
11	A"	1183	1110	1.07
12	A"	237	222	4.20

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.866	0.000
Cl2	-0.834	-0.773	0.000
C3	1.461	0.692	0.000
H4	1.825	1.723	0.000
H5	1.794	0.167	0.900
H6	1.794	0.167	-0.900

	O1	Cl2	C3	H4	H5	H6
O1		1.8387	1.4718	2.0164	2.1251	2.1251
Cl2	1.8387		2.7230	3.6471	2.9326	2.9326
C3	1.4718	2.7230		1.0935	1.0933	1.0933
H4	2.0164	3.6471	1.0935		1.7977	1.7977
H5	2.1251	2.9326	1.0933	1.7977		1.7991
H6	2.1251	2.9326	1.0933	1.7977	1.7991

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H4	102.636	O1	C3	H5	111.029
O1	C3	H6	111.029	Cl2	O1	C3	110.191
H4	C3	H5	110.582	H4	C3	H6	110.582
H5	C3	H6	110.732

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

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

States and conformations

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