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	hartrees
Energy at 0K	-37.999074
Energy at 298.15K	-38.002783
HF Energy	-37.536497
Nuclear repulsion energy	42.300145

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3200	3049	12.19
2	A'	3067	2922	34.41
3	A'	1543	1470	9.95
4	A'	1487	1417	3.31
5	A'	1205	1148	6.36
6	A'	1028	980	47.28
7	A'	699	666	4.48
8	A'	368	351	3.06
9	A"	3174	3024	35.66
10	A"	1503	1432	6.94
11	A"	1177	1121	1.40
12	A"	266	254	3.30

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.825	0.000
Cl2	-0.818	-0.700	0.000
C3	1.430	0.597	0.000
H4	1.842	1.608	0.000
H5	1.739	0.055	0.900
H6	1.739	0.055	-0.900

	O1	Cl2	C3	H4	H5	H6
O1		1.7307	1.4478	2.0020	2.1042	2.1042
Cl2	1.7307		2.5944	3.5221	2.8137	2.8137
C3	1.4478	2.5944		1.0929	1.0946	1.0946
H4	2.0020	3.5221	1.0929		1.7980	1.7980
H5	2.1042	2.8137	1.0946	1.7980		1.7990
H6	2.1042	2.8137	1.0946	1.7980	1.7990

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H4	103.102	O1	C3	H5	110.952
O1	C3	H6	110.952	Cl2	O1	C3	109.094
H4	C3	H5	110.554	H4	C3	H6	110.554
H5	C3	H6	110.520

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

using model chemistry: MP2/CEP-121G*

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: MP2/CEP-121G*

States and conformations

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