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	hartrees
Energy at 0K	-574.492234
Energy at 298.15K	-574.495982
HF Energy	-573.889245
Nuclear repulsion energy	106.584004

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3222	3029	5.41
2	A'	3101	2915	23.43
3	A'	1548	1455	8.76
4	A'	1488	1399	4.17
5	A'	1221	1148	7.53
6	A'	1067	1003	44.77
7	A'	716	673	3.93
8	A'	382	359	2.77
9	A"	3198	3006	19.70
10	A"	1511	1420	7.35
11	A"	1199	1127	0.75
12	A"	269	252	2.25

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.806	0.000
Cl2	-0.805	-0.681	0.000
C3	1.403	0.578	0.000
H4	1.833	1.578	0.000
H5	1.720	0.038	0.892
H6	1.720	0.038	-0.892

	O1	Cl2	C3	H4	H5	H6
O1		1.6906	1.4212	1.9887	2.0844	2.0844
Cl2	1.6906		2.5415	3.4727	2.7729	2.7729
C3	1.4212	2.5415		1.0885	1.0901	1.0901
H4	1.9887	3.4727	1.0885		1.7835	1.7835
H5	2.0844	2.7729	1.0901	1.7835		1.7840
H6	2.0844	2.7729	1.0901	1.7835	1.7840

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H4	104.039	O1	C3	H5	111.521
O1	C3	H6	111.521	Cl2	O1	C3	109.215
H4	C3	H5	109.897	H4	C3	H6	109.897
H5	C3	H6	109.827

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

using model chemistry: MP2=FULL/6-31G(2df,p)

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=FULL/6-31G(2df,p)

States and conformations

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