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	hartrees
Energy at 0K	-228.845466
Energy at 298.15K
Nuclear repulsion energy	131.320069

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3161	3002	0.00
2	A_g	3064	2910	0.00
3	A_g	1594	1514	0.00
4	A_g	1483	1408	0.00
5	A_g	1252	1188	0.00
6	A_g	1078	1024	0.00
7	A_g	878	834	0.00
8	A_g	462	439	0.00
9	A_u	3136	2978	83.26
10	A_u	1532	1455	14.60
11	A_u	1162	1103	0.10
12	A_u	195	185	4.03
13	A_u	27i	26i	14.25
14	B_g	3135	2977	0.00
15	B_g	1532	1455	0.00
16	B_g	1167	1109	0.00
17	B_g	246	233	0.00
18	B_u	3161	3002	29.53
19	B_u	3061	2907	60.46
20	B_u	1587	1507	27.03
21	B_u	1467	1393	4.69
22	B_u	1155	1097	3.35
23	B_u	1020	969	68.21
24	B_u	284	270	14.71

Atom	x (Å)	y (Å)	z (Å)
O1	-0.464	0.596	0.000
O2	0.464	-0.596	0.000
C3	0.464	1.712	0.000
C4	-0.464	-1.712	0.000
H5	-0.175	2.598	0.000
H6	1.093	1.702	0.894
H7	1.093	1.702	-0.894
H8	0.175	-2.598	0.000
H9	-1.093	-1.702	0.894
H10	-1.093	-1.702	-0.894

	O1	O2	C3	C4	H5	H6	H7	H8	H9	H10
O1		1.5110	1.4506	2.3079	2.0226	2.1085	2.1085	3.2579	2.5451	2.5451
O2	1.5110		2.3079	1.4506	3.2579	2.5451	2.5451	2.0226	2.1085	2.1085
C3	1.4506	2.3079		3.5466	1.0930	1.0935	1.0935	4.3195	3.8569	3.8569
C4	2.3079	1.4506	3.5466		4.3195	3.8569	3.8569	1.0930	1.0935	1.0935
H5	2.0226	3.2579	1.0930	4.3195		1.7922	1.7922	5.2083	4.4870	4.4870
H6	2.1085	2.5451	1.0935	3.8569	1.7922		1.7886	4.4870	4.0453	4.4231
H7	2.1085	2.5451	1.0935	3.8569	1.7922	1.7886		4.4870	4.4231	4.0453
H8	3.2579	2.0226	4.3195	1.0930	5.2083	4.4870	4.4870		1.7922	1.7922
H9	2.5451	2.1085	3.8569	1.0935	4.4870	4.0453	4.4231	1.7922		1.7886
H10	2.5451	2.1085	3.8569	1.0935	4.4870	4.4231	4.0453	1.7922	1.7886

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	102.370	O1	C3	H5	104.462
O1	C3	H6	111.172	O1	C3	H7	111.172
O2	O1	C3	102.370	O2	C4	H8	104.462
O2	C4	H9	111.172	O2	C4	H10	111.172
H5	C3	H6	110.099	H5	C3	H7	110.099
H6	C3	H7	109.734	H8	C4	H9	110.099
H8	C4	H10	110.099	H9	C4	H10	109.734

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)

using model chemistry: mPW1PW91/3-21G*

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	-0.304
2	O	-0.304
3	C	-0.361
4	C	-0.361
5	H	0.228
6	H	0.218
7	H	0.218
8	H	0.228
9	H	0.218
10	H	0.218

	x	y	z
x	3.796	0.199	0.000
y	0.199	6.366	0.000
z	0.000	0.000	3.375

<r²>	94.041
(<r²>)^1/2	9.697

All results from a given calculation for CH3OOCH3 (dimethylperoxide)

using model chemistry: mPW1PW91/3-21G*

States and conformations

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)