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	hartrees
Energy at 0K	-574.425274
Energy at 298.15K	-574.428990
HF Energy	-573.918668
Nuclear repulsion energy	105.189202

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3147	3013	12.61
2	A'	3037	2908	34.53
3	A'	1539	1474	12.82
4	A'	1493	1430	2.54
5	A'	1224	1172	10.29
6	A'	1062	1016	47.08
7	A'	659	631	2.65
8	A'	375	359	2.74
9	A"	3116	2983	39.72
10	A"	1500	1436	7.87
11	A"	1199	1148	1.09
12	A"	273	261	3.80

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.817	0.000
Cl2	-0.809	-0.706	0.000
C3	1.410	0.614	0.000
H4	1.823	1.627	0.000
H5	1.736	0.076	0.898
H6	1.736	0.076	-0.898

	O1	Cl2	C3	H4	H5	H6
O1		1.7243	1.4247	1.9944	2.0899	2.0899
Cl2	1.7243		2.5819	3.5166	2.8096	2.8096
C3	1.4247	2.5819		1.0937	1.0959	1.0959
H4	1.9944	3.5166	1.0937		1.7938	1.7938
H5	2.0899	2.8096	1.0959	1.7938		1.7957
H6	2.0899	2.8096	1.0959	1.7938	1.7957

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H4	103.958	O1	C3	H5	111.344
O1	C3	H6	111.344	Cl2	O1	C3	109.786
H4	C3	H5	110.011	H4	C3	H6	110.011
H5	C3	H6	110.025

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

using model chemistry: QCISD/6-311G*

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: QCISD/6-311G*

States and conformations

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