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	hartrees
Energy at 0K	-189.694542
Energy at 298.15K	-189.698218
HF Energy	-189.199772
Nuclear repulsion energy	74.261252

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3205	3052	11.23
2	A'	3096	2948	15.26
3	A'	1534	1461	6.91
4	A'	1482	1412	1.46
5	A'	1224	1166	4.01
6	A'	1122	1069	11.21
7	A'	950	904	16.04
8	A'	495	471	5.86
9	A"	3197	3045	16.10
10	A"	1521	1449	5.84
11	A"	1162	1106	0.86
12	A"	169	161	0.35

Atom	x (Å)	y (Å)	z (Å)
C1	1.006	-0.461	0.000
O2	0.000	0.582	0.000
O3	-1.222	0.022	0.000
H4	1.964	0.065	0.000
H5	0.889	-1.070	0.900
H6	0.889	-1.070	-0.900

	C1	O2	O3	H4	H5	H6
C1		1.4493	2.2804	1.0928	1.0930	1.0930
O2	1.4493		1.3446	2.0308	2.0808	2.0808
O3	2.2804	1.3446		3.1866	2.5418	2.5418
H4	1.0928	2.0308	3.1866		1.8040	1.8040
H5	1.0930	2.0808	2.5418	1.8040		1.8000
H6	1.0930	2.0808	2.5418	1.8040	1.8000

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	O3	109.356	O2	C1	H4	105.181
O2	C1	H5	109.061	O2	C1	H6	109.061
H4	C1	H5	111.242	H4	C1	H6	111.242
H5	C1	H6	110.857

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

using model chemistry: QCISD/6-31G*

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/6-31G*

States and conformations

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