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	hartrees
Energy at 0K	-574.381685
Energy at 298.15K	-574.385373
HF Energy	-573.878653
Nuclear repulsion energy	105.052999

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3216	3041	11.30
2	A'	3099	2930	36.81
3	A'	1555	1470	9.24
4	A'	1498	1417	7.20
5	A'	1216	1150	7.76
6	A'	1048	991	51.52
7	A'	685	648	3.91
8	A'	370	350	2.62
9	A"	3187	3013	32.69
10	A"	1517	1434	5.60
11	A"	1190	1125	2.32
12	A"	248	234	3.31

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.814	0.000
Cl2	-0.814	-0.703	0.000
C3	1.422	0.611	0.000
H4	1.830	1.620	0.000
H5	1.739	0.075	0.895
H6	1.739	0.075	-0.895

	O1	Cl2	C3	H4	H5	H6
O1		1.7215	1.4361	1.9993	2.0909	2.0909
Cl2	1.7215		2.5928	3.5191	2.8146	2.8146
C3	1.4361	2.5928		1.0887	1.0907	1.0907
H4	1.9993	3.5191	1.0887		1.7883	1.7883
H5	2.0909	2.8146	1.0907	1.7883		1.7906
H6	2.0909	2.8146	1.0907	1.7883	1.7906

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H4	103.868	O1	C3	H5	110.948
O1	C3	H6	110.948	Cl2	O1	C3	110.073
H4	C3	H5	110.285	H4	C3	H6	110.285
H5	C3	H6	110.344

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

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

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/6-31+G**

States and conformations

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