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	hartrees
Energy at 0K	-574.591440
Energy at 298.15K	-574.595178
HF Energy	-573.957748
Nuclear repulsion energy	106.617670

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3165	2955	10.49
2	A'	3059	2857	31.46
3	A'	1534	1433	9.48
4	A'	1485	1386	4.33
5	A'	1224	1143	9.17
6	A'	1088	1016	54.84
7	A'	728	680	4.59
8	A'	382	356	2.29
9	A"	3139	2931	28.05
10	A"	1498	1399	7.15
11	A"	1197	1117	1.82
12	A"	250	233	2.29

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.800	0.000
Cl2	-0.806	-0.682	0.000
C3	1.404	0.587	0.000
H4	1.835	1.586	0.000
H5	1.722	0.047	0.892
H6	1.722	0.047	-0.892

	O1	Cl2	C3	H4	H5	H6
O1		1.6873	1.4196	1.9961	2.0800	2.0800
Cl2	1.6873		2.5480	3.4811	2.7780	2.7780
C3	1.4196	2.5480		1.0879	1.0899	1.0899
H4	1.9961	3.4811	1.0879		1.7817	1.7817
H5	2.0800	2.7780	1.0899	1.7817		1.7838
H6	2.0800	2.7780	1.0899	1.7817	1.7838

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H4	104.732	O1	C3	H5	111.284
O1	C3	H6	111.284	Cl2	O1	C3	109.896
H4	C3	H5	109.792	H4	C3	H6	109.792
H5	C3	H6	109.841

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

using model chemistry: CCD/cc-pVTZ

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/cc-pVTZ

States and conformations

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