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	hartrees
Energy at 0K	-227.171951
Energy at 298.15K	-227.178594
Nuclear repulsion energy	130.447870

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3442	3072	0.00
2	A_g	3241	2892	0.00
3	A_g	1669	1489	0.00
4	A_g	1569	1401	0.00
5	A_g	1350	1204	0.00
6	A_g	1213	1083	0.00
7	A_g	975	870	0.00
8	A_g	492	439	0.00
9	A_u	3389	3025	17.31
10	A_u	1627	1452	6.65
11	A_u	1163	1038	0.74
12	A_u	169	151	1.55
13	A_u	20	18	6.01
14	B_g	3389	3024	0.00
15	B_g	1627	1452	0.00
16	B_g	1167	1042	0.00
17	B_g	210	187	0.00
18	B_u	3442	3072	3.51
19	B_u	3239	2891	18.46
20	B_u	1665	1486	15.94
21	B_u	1549	1382	14.59
22	B_u	1192	1064	1.34
23	B_u	1100	982	10.93
24	B_u	306	273	4.07

Atom	x (Å)	y (Å)	z (Å)
O1	-0.467	0.576	0.000
O2	0.467	-0.576	0.000
C3	0.467	1.723	0.000
C4	-0.467	-1.723	0.000
H5	-0.170	2.628	0.000
H6	1.114	1.731	0.903
H7	1.114	1.731	-0.903
H8	0.170	-2.628	0.000
H9	-1.114	-1.731	0.903
H10	-1.114	-1.731	-0.903

	O1	O2	C3	C4	H5	H6	H7	H8	H9	H10
O1		1.4830	1.4792	2.2991	2.0735	2.1564	2.1564	3.2667	2.5609	2.5609
O2	1.4830		2.2991	1.4792	3.2667	2.5609	2.5609	2.0735	2.1564	2.1564
C3	1.4792	2.2991		3.5706	1.1064	1.1109	1.1109	4.3613	3.9050	3.9050
C4	2.2991	1.4792	3.5706		4.3613	3.9050	3.9050	1.1064	1.1109	1.1109
H5	2.0735	3.2667	1.1064	4.3613		1.8076	1.8076	5.2670	4.5511	4.5511
H6	2.1564	2.5609	1.1109	3.9050	1.8076		1.8056	4.5511	4.1179	4.4964
H7	2.1564	2.5609	1.1109	3.9050	1.8076	1.8056		4.5511	4.4964	4.1179
H8	3.2667	2.0735	4.3613	1.1064	5.2670	4.5511	4.5511		1.8076	1.8076
H9	2.5609	2.1564	3.9050	1.1109	4.5511	4.1179	4.4964	1.8076		1.8056
H10	2.5609	2.1564	3.9050	1.1109	4.5511	4.4964	4.1179	1.8076	1.8056

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	101.820	O1	C3	H5	105.722
O1	C3	H6	111.940	O1	C3	H7	111.940
O2	O1	C3	101.820	O2	C4	H8	105.722
O2	C4	H9	111.940	O2	C4	H10	111.940
H5	C3	H6	109.216	H5	C3	H7	109.216
H6	C3	H7	108.722	H8	C4	H9	109.216
H8	C4	H10	109.216	H9	C4	H10	108.722

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)

using model chemistry: B3LYP/STO-3G

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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Number	Element	Mulliken
1	O	-0.114
2	O	-0.114
3	C	-0.134
4	C	-0.134
5	H	0.088
6	H	0.080
7	H	0.080
8	H	0.088
9	H	0.080
10	H	0.080

	x	y	z
x	2.203	0.240	0.000
y	0.240	4.286	0.000
z	0.000	0.000	1.753

<r²>	94.579
(<r²>)^1/2	9.725

All results from a given calculation for CH3OOCH3 (dimethylperoxide)

using model chemistry: B3LYP/STO-3G

States and conformations

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)