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	hartrees
Energy at 0K	-230.004448
Energy at 298.15K	-230.011306
Nuclear repulsion energy	130.970621

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3170	3036	0.00
2	A_g	3055	2926	0.00
3	A_g	1558	1492	0.00
4	A_g	1474	1412	0.00
5	A_g	1247	1194	0.00
6	A_g	1028	984	0.00
7	A_g	803	769	0.00
8	A_g	459	440	0.00
9	A_u	3145	3012	85.48
10	A_u	1498	1435	17.71
11	A_u	1170	1121	0.05
12	A_u	190	182	4.70
13	A_u	43	41	17.39
14	B_g	3144	3011	0.00
15	B_g	1498	1435	0.00
16	B_g	1173	1124	0.00
17	B_g	238	228	0.00
18	B_u	3169	3035	28.29
19	B_u	3052	2923	68.99
20	B_u	1551	1486	28.75
21	B_u	1465	1403	0.97
22	B_u	1162	1113	5.23
23	B_u	1022	979	71.67
24	B_u	281	269	15.55

Atom	x (Å)	y (Å)	z (Å)
O1	-0.456	0.610	0.000
O2	0.456	-0.610	0.000
C3	0.456	1.726	0.000
C4	-0.456	-1.726	0.000
H5	-0.195	2.604	0.000
H6	1.083	1.721	0.897
H7	1.083	1.721	-0.897
H8	0.195	-2.604	0.000
H9	-1.083	-1.721	0.897
H10	-1.083	-1.721	-0.897

	O1	O2	C3	C4	H5	H6	H7	H8	H9	H10
O1		1.5237	1.4415	2.3362	2.0113	2.0998	2.0998	3.2798	2.5755	2.5755
O2	1.5237		2.3362	1.4415	3.2798	2.5755	2.5755	2.0113	2.0998	2.0998
C3	1.4415	2.3362		3.5706	1.0934	1.0942	1.0942	4.3383	3.8805	3.8805
C4	2.3362	1.4415	3.5706		4.3383	3.8805	3.8805	1.0934	1.0942	1.0942
H5	2.0113	3.2798	1.0934	4.3383		1.7937	1.7937	5.2233	4.5061	4.5061
H6	2.0998	2.5755	1.0942	3.8805	1.7937		1.7936	4.5061	4.0676	4.4455
H7	2.0998	2.5755	1.0942	3.8805	1.7937	1.7936		4.5061	4.4455	4.0676
H8	3.2798	2.0113	4.3383	1.0934	5.2233	4.5061	4.5061		1.7937	1.7937
H9	2.5755	2.0998	3.8805	1.0942	4.5061	4.0676	4.4455	1.7937		1.7936
H10	2.5755	2.0998	3.8805	1.0942	4.5061	4.4455	4.0676	1.7937	1.7936

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	103.936	O1	C3	H5	104.176
O1	C3	H6	111.063	O1	C3	H7	111.063
O2	O1	C3	103.936	O2	C4	H8	104.176
O2	C4	H9	111.063	O2	C4	H10	111.063
H5	C3	H6	110.158	H5	C3	H7	110.158
H6	C3	H7	110.086	H8	C4	H9	110.158
H8	C4	H10	110.158	H9	C4	H10	110.086

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)

using model chemistry: B3PW91/6-31G

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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Number	Element	Mulliken
1	O	-0.331
2	O	-0.331
3	C	-0.205
4	C	-0.205
5	H	0.185
6	H	0.175
7	H	0.175
8	H	0.185
9	H	0.175
10	H	0.175

	x	y	z
x	4.109	0.160	0.000
y	0.160	6.779	0.000
z	0.000	0.000	3.608

<r²>	95.076
(<r²>)^1/2	9.751

All results from a given calculation for CH3OOCH3 (dimethylperoxide)

using model chemistry: B3PW91/6-31G

States and conformations

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)