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	hartrees
Energy at 0K	-574.595705
Energy at 298.15K	-574.599431
HF Energy	-573.957484
Nuclear repulsion energy	106.414465

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3157	2971	10.78
2	A'	3054	2874	32.79
3	A'	1532	1442	9.45
4	A'	1479	1392	4.94
5	A'	1219	1147	9.09
6	A'	1074	1010	53.74
7	A'	714	672	4.06
8	A'	379	357	2.35
9	A"	3131	2947	29.07
10	A"	1494	1407	6.91
11	A"	1193	1123	1.77
12	A"	250	235	2.28

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.803	0.000
Cl2	-0.807	-0.684	0.000
C3	1.406	0.587	0.000
H4	1.836	1.587	0.000
H5	1.723	0.048	0.892
H6	1.723	0.048	-0.892

	O1	Cl2	C3	H4	H5	H6
O1		1.6922	1.4221	1.9966	2.0822	2.0822
Cl2	1.6922		2.5519	3.4849	2.7805	2.7805
C3	1.4221	2.5519		1.0882	1.0901	1.0901
H4	1.9966	3.4849	1.0882		1.7827	1.7827
H5	2.0822	2.7805	1.0901	1.7827		1.7848
H6	2.0822	2.7805	1.0901	1.7827	1.7848

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H4	104.598	O1	C3	H5	111.270
O1	C3	H6	111.270	Cl2	O1	C3	109.752
H4	C3	H5	109.847	H4	C3	H6	109.847
H5	C3	H6	109.889

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

using model chemistry: CCSD/cc-pVTZ

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: CCSD/cc-pVTZ

States and conformations

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