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	hartrees
Energy at 0K	-190.297725
Energy at 298.15K	-190.301342
HF Energy	-190.297725
Nuclear repulsion energy	74.832311

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3150	3048	7.45
2	A'	3050	2951	14.41
3	A'	1483	1435	9.55
4	A'	1442	1395	1.58
5	A'	1216	1176	9.60
6	A'	1149	1112	2.09
7	A'	912	882	13.08
8	A'	490	474	6.47
9	A"	3137	3036	10.15
10	A"	1473	1425	10.34
11	A"	1127	1091	0.81
12	A"	133	129	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	1.003	-0.474	0.000
O2	0.000	0.555	0.000
O3	-1.221	0.068	0.000
H4	1.964	0.036	0.000
H5	0.894	-1.086	0.894
H6	0.894	-1.086	-0.894

	C1	O2	O3	H4	H5	H6
C1		1.4373	2.2897	1.0882	1.0886	1.0886
O2	1.4373		1.3148	2.0316	2.0716	2.0716
O3	2.2897	1.3148		3.1858	2.5703	2.5703
H4	1.0882	2.0316	3.1858		1.7900	1.7900
H5	1.0886	2.0716	2.5703	1.7900		1.7874
H6	1.0886	2.0716	2.5703	1.7900	1.7874

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	O3	112.533	O2	C1	H4	106.288
O2	C1	H5	109.426	O2	C1	H6	109.426
H4	C1	H5	110.625	H4	C1	H6	110.625
H5	C1	H6	110.357

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

using model chemistry: B3LYPultrafine/aug-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 CH3OO (methylperoxy radical)

using model chemistry: B3LYPultrafine/aug-cc-pVTZ

States and conformations

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