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	hartrees
Energy at 0K	-230.061609
Energy at 298.15K	-230.068587
Nuclear repulsion energy	134.717393

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3171	3028	0.00
2	A_g	3050	2912	0.00
3	A_g	1537	1468	0.00
4	A_g	1464	1398	0.00
5	A_g	1286	1228	0.00
6	A_g	1119	1069	0.00
7	A_g	880	840	0.00
8	A_g	492	470	0.00
9	A_u	3122	2981	92.47
10	A_u	1473	1406	10.31
11	A_u	1183	1130	1.24
12	A_u	206	197	3.45
13	A_u	19	18	11.13
14	B_g	3122	2981	0.00
15	B_g	1472	1405	0.00
16	B_g	1190	1136	0.00
17	B_g	263	251	0.00
18	B_u	3171	3028	31.26
19	B_u	3046	2908	95.06
20	B_u	1529	1460	25.44
21	B_u	1454	1388	7.53
22	B_u	1183	1130	19.15
23	B_u	1105	1055	102.94
24	B_u	304	290	11.36

Atom	x (Å)	y (Å)	z (Å)
O1	-0.436	0.577	0.000
O2	0.436	-0.577	0.000
C3	0.436	1.675	0.000
C4	-0.436	-1.675	0.000
H5	-0.214	2.550	0.000
H6	1.067	1.685	0.894
H7	1.067	1.685	-0.894
H8	0.214	-2.550	0.000
H9	-1.067	-1.685	0.894
H10	-1.067	-1.685	-0.894

	O1	O2	C3	C4	H5	H6	H7	H8	H9	H10
O1		1.4454	1.4021	2.2513	1.9862	2.0702	2.0702	3.1938	2.5122	2.5122
O2	1.4454		2.2513	1.4021	3.1938	2.5122	2.5122	1.9862	2.0702	2.0702
C3	1.4021	2.2513		3.4611	1.0906	1.0943	1.0943	4.2310	3.7874	3.7874
C4	2.2513	1.4021	3.4611		4.2310	3.7874	3.7874	1.0906	1.0943	1.0943
H5	1.9862	3.1938	1.0906	4.2310		1.7861	1.7861	5.1188	4.4117	4.4117
H6	2.0702	2.5122	1.0943	3.7874	1.7861		1.7878	4.4117	3.9885	4.3709
H7	2.0702	2.5122	1.0943	3.7874	1.7861	1.7878		4.4117	4.3709	3.9885
H8	3.1938	1.9862	4.2310	1.0906	5.1188	4.4117	4.4117		1.7861	1.7861
H9	2.5122	2.0702	3.7874	1.0943	4.4117	3.9885	4.3709	1.7861		1.7878
H10	2.5122	2.0702	3.7874	1.0943	4.4117	4.3709	3.9885	1.7861	1.7878

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	104.479	O1	C3	H5	104.965
O1	C3	H6	111.454	O1	C3	H7	111.454
O2	O1	C3	104.479	O2	C4	H8	104.965
O2	C4	H9	111.454	O2	C4	H10	111.454
H5	C3	H6	109.664	H5	C3	H7	109.664
H6	C3	H7	109.541	H8	C4	H9	109.664
H8	C4	H10	109.664	H9	C4	H10	109.541

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)

using model chemistry: B1B95/6-31G**

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	-0.297
2	O	-0.297
3	C	-0.087
4	C	-0.087
5	H	0.136
6	H	0.124
7	H	0.124
8	H	0.136
9	H	0.124
10	H	0.124

	x	y	z
x	4.175	0.182	0.000
y	0.182	6.426	0.000
z	0.000	0.000	3.932

<r²>	90.759
(<r²>)^1/2	9.527

All results from a given calculation for CH3OOCH3 (dimethylperoxide)

using model chemistry: B1B95/6-31G**

States and conformations

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)