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	hartrees
Energy at 0K	-575.029875
Energy at 298.15K	-575.025034
HF Energy	-573.871774
Nuclear repulsion energy	107.263854

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3326	3133	19.39
2	A'	3226	3039	40.83
3	A'	1656	1560	9.60
4	A'	1613	1520	15.17
5	A'	1322	1246	11.82
6	A'	1164	1096	88.23
7	A'	788	743	7.42
8	A'	404	381	2.43
9	A"	3304	3113	45.17
10	A"	1628	1534	5.06
11	A"	1288	1214	3.51
12	A"	258	243	3.46

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.816	0.000
Cl2	-0.811	-0.696	0.000
C3	1.416	0.597	0.000
H4	1.829	1.607	0.000
H5	1.736	0.059	0.896
H6	1.736	0.059	-0.896

	O1	Cl2	C3	H4	H5	H6
O1		1.7164	1.4324	1.9926	2.0954	2.0954
Cl2	1.7164		2.5755	3.5038	2.8042	2.8042
C3	1.4324	2.5755		1.0909	1.0934	1.0934
H4	1.9926	3.5038	1.0909		1.7910	1.7910
H5	2.0954	2.8042	1.0934	1.7910		1.7921
H6	2.0954	2.8042	1.0934	1.7910	1.7921

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H4	104.689	O1	C3	H5	111.059
O1	C3	H6	111.059	Cl2	O1	C3	112.018
H4	C3	H5	109.918	H4	C3	H6	109.918
H5	C3	H6	110.074

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

using model chemistry: G3

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: G3

States and conformations

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