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	hartrees
Energy at 0K	-574.341948
Energy at 298.15K	-574.345666
HF Energy	-573.869939
Nuclear repulsion energy	105.317849

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3187	3017	11.07
2	A'	3077	2913	27.62
3	A'	1558	1475	9.34
4	A'	1505	1424	4.86
5	A'	1226	1161	7.38
6	A'	1077	1019	47.38
7	A'	705	667	3.04
8	A'	379	359	2.91
9	A"	3161	2992	31.92
10	A"	1524	1442	6.33
11	A"	1199	1135	1.30
12	A"	258	244	3.25

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.813	0.000
Cl2	-0.812	-0.699	0.000
C3	1.415	0.605	0.000
H4	1.830	1.617	0.000
H5	1.739	0.067	0.898
H6	1.739	0.067	-0.898

	O1	Cl2	C3	H4	H5	H6
O1		1.7159	1.4306	1.9986	2.0945	2.0945
Cl2	1.7159		2.5806	3.5130	2.8104	2.8104
C3	1.4306	2.5806		1.0939	1.0959	1.0959
H4	1.9986	3.5130	1.0939		1.7942	1.7942
H5	2.0945	2.8104	1.0959	1.7942		1.7966
H6	2.0945	2.8104	1.0959	1.7942	1.7966

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H4	103.886	O1	C3	H5	111.307
O1	C3	H6	111.307	Cl2	O1	C3	109.869
H4	C3	H5	110.039	H4	C3	H6	110.039
H5	C3	H6	110.107

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

using model chemistry: CCD/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: CCD/6-31G*

States and conformations

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