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	hartrees
Energy at 0K	-574.354098
Energy at 298.15K	-574.357826
HF Energy	-573.870197
Nuclear repulsion energy	105.497586

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3211	3013	10.07
2	A'	3102	2910	26.32
3	A'	1568	1471	9.56
4	A'	1514	1421	4.49
5	A'	1235	1159	9.14
6	A'	1084	1018	46.25
7	A'	706	662	2.89
8	A'	382	358	3.02
9	A"	3185	2989	30.37
10	A"	1532	1437	6.82
11	A"	1207	1133	1.31
12	A"	261	245	3.23

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.799	0.000
Cl2	-0.810	-0.691	0.000
C3	1.410	0.601	0.000
H4	1.820	1.614	0.000
H5	1.741	0.066	0.896
H6	1.741	0.066	-0.896

	O1	Cl2	C3	H4	H5	H6
O1		1.6954	1.4242	1.9936	2.0908	2.0908
Cl2	1.6954		2.5687	3.4961	2.8077	2.8077
C3	1.4242	2.5687		1.0918	1.0950	1.0950
H4	1.9936	3.4961	1.0918		1.7899	1.7899
H5	2.0908	2.8077	1.0950	1.7899		1.7927
H6	2.0908	2.8077	1.0950	1.7899	1.7927

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H4	104.035	O1	C3	H5	111.519
O1	C3	H6	111.519	Cl2	O1	C3	110.556
H4	C3	H5	109.869	H4	C3	H6	109.869
H5	C3	H6	109.884

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

using model chemistry: MP3=FULL/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: MP3=FULL/6-31G*

States and conformations

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