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	hartrees
Energy at 0K	-574.563355
Energy at 298.15K	-574.567083
HF Energy	-573.955378
Nuclear repulsion energy	106.648019

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3193	3038	7.29
2	A'	3072	2923	29.89
3	A'	1528	1454	8.71
4	A'	1475	1404	3.02
5	A'	1209	1150	6.56
6	A'	1053	1002	53.68
7	A'	719	684	6.26
8	A'	377	359	2.51
9	A"	3162	3009	23.36
10	A"	1493	1420	7.89
11	A"	1189	1131	1.25
12	A"	259	247	2.24

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.798	0.000
Cl2	-0.805	-0.672	0.000
C3	1.403	0.570	0.000
H4	1.835	1.567	0.000
H5	1.718	0.029	0.891
H6	1.718	0.029	-0.891

	O1	Cl2	C3	H4	H5	H6
O1		1.6765	1.4210	1.9898	2.0824	2.0824
Cl2	1.6765		2.5334	3.4620	2.7659	2.7659
C3	1.4210	2.5334		1.0865	1.0894	1.0894
H4	1.9898	3.4620	1.0865		1.7815	1.7815
H5	2.0824	2.7659	1.0894	1.7815		1.7828
H6	2.0824	2.7659	1.0894	1.7815	1.7828

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H4	104.238	O1	C3	H5	111.413
O1	C3	H6	111.413	Cl2	O1	C3	109.470
H4	C3	H5	109.920	H4	C3	H6	109.920
H5	C3	H6	109.811

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

using model chemistry: MP2/Def2TZVPP

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: MP2/Def2TZVPP

States and conformations

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