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	hartrees
Energy at 0K	-189.731857
Energy at 298.15K	-189.735521
HF Energy	-189.209769
Nuclear repulsion energy	74.225245

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3245	3068	9.90
2	A'	3127	2957	18.16
3	A'	1537	1453	7.86
4	A'	1485	1404	2.64
5	A'	1223	1156	5.62
6	A'	1109	1049	11.59
7	A'	940	888	16.89
8	A'	490	463	5.23
9	A"	3237	3060	13.64
10	A"	1521	1438	6.24
11	A"	1159	1096	1.90
12	A"	161	152	0.41

Atom	x (Å)	y (Å)	z (Å)
C1	1.010	-0.462	0.000
O2	0.000	0.580	0.000
O3	-1.226	0.024	0.000
H4	1.960	0.068	0.000
H5	0.893	-1.065	0.897
H6	0.893	-1.065	-0.897

	C1	O2	O3	H4	H5	H6
C1		1.4514	2.2887	1.0872	1.0874	1.0874
O2	1.4514		1.3461	2.0259	2.0758	2.0758
O3	2.2887	1.3461		3.1863	2.5459	2.5459
H4	1.0872	2.0259	3.1863		1.7964	1.7964
H5	1.0874	2.0758	2.5459	1.7964		1.7936
H6	1.0874	2.0758	2.5459	1.7964	1.7936

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	O3	109.741	O2	C1	H4	104.976
O2	C1	H5	108.854	O2	C1	H6	108.854
H4	C1	H5	111.397	H4	C1	H6	111.397
H5	C1	H6	111.122

All results from a given calculation for CH₃OO (methylperoxy radical)

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 CH3OO (methylperoxy radical)

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

States and conformations

All results from a given calculation for CH₃OO (methylperoxy radical)