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	hartrees
Energy at 0K	-574.346701
Energy at 298.15K	-574.350402
HF Energy	-573.869490
Nuclear repulsion energy	105.033965

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3175	3023	11.95
2	A'	3066	2920	30.33
3	A'	1555	1480	9.51
4	A'	1497	1426	6.17
5	A'	1218	1160	7.45
6	A'	1056	1006	47.02
7	A'	686	654	2.93
8	A'	375	357	2.98
9	A"	3147	2997	34.59
10	A"	1518	1446	5.87
11	A"	1193	1136	1.24
12	A"	259	247	3.24

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.817	0.000
Cl2	-0.813	-0.702	0.000
C3	1.419	0.606	0.000
H4	1.832	1.620	0.000
H5	1.741	0.068	0.899
H6	1.741	0.068	-0.899

	O1	Cl2	C3	H4	H5	H6
O1		1.7225	1.4341	2.0001	2.0979	2.0979
Cl2	1.7225		2.5868	3.5193	2.8152	2.8152
C3	1.4341	2.5868		1.0945	1.0965	1.0965
H4	2.0001	3.5193	1.0945		1.7958	1.7958
H5	2.0979	2.8152	1.0965	1.7958		1.7978
H6	2.0979	2.8152	1.0965	1.7958	1.7978

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H4	103.745	O1	C3	H5	111.301
O1	C3	H6	111.301	Cl2	O1	C3	109.726
H4	C3	H5	110.099	H4	C3	H6	110.099
H5	C3	H6	110.134

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

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

States and conformations

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