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	hartrees
Energy at 0K	-339.652865
Energy at 298.15K	-339.661846
Nuclear repulsion energy	259.239574

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3205	3093	0.00
2	A_g	3067	2960	0.00
3	A_g	1577	1521	0.00
4	A_g	1459	1408	0.00
5	A_g	1432	1382	0.00
6	A_g	1388	1339	0.00
7	A_g	1103	1064	0.00
8	A_g	789	761	0.00
9	A_g	625	603	0.00
10	A_g	403	389	0.00
11	A_u	3140	3030	5.96
12	A_u	1461	1410	19.80
13	A_u	1131	1091	0.01
14	A_u	335	324	5.24
15	A_u	190	183	11.15
16	A_u	105	101	3.03
17	B_g	3139	3029	0.00
18	B_g	1458	1407	0.00
19	B_g	1104	1066	0.00
20	B_g	503	486	0.00
21	B_g	145	140	0.00
22	B_u	3205	3093	0.73
23	B_u	3067	2960	10.78
24	B_u	1481	1429	1.48
25	B_u	1424	1374	48.82
26	B_u	1360	1312	281.15
27	B_u	1151	1111	46.93
28	B_u	952	919	33.91
29	B_u	544	525	37.86
30	B_u	295	284	22.76

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.654	0.000
N2	0.000	-0.654	0.000
O3	-1.072	1.321	0.000
O4	1.072	-1.321	0.000
C5	1.326	1.287	0.000
C6	-1.326	-1.287	0.000
H7	1.138	2.357	0.000
H8	1.882	0.966	0.884
H9	1.882	0.966	-0.884
H10	-1.138	-2.357	0.000
H11	-1.882	-0.966	0.884
H12	-1.882	-0.966	-0.884

	N1	N2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
N1		1.3070	1.2629	2.2468	1.4698	2.3503	2.0486	2.1026	2.1026	3.2184	2.6358	2.6358
N2	1.3070		2.2468	1.2629	2.3503	1.4698	3.2184	2.6358	2.6358	2.0486	2.1026	2.1026
O3	1.2629	2.2468		3.4026	2.3987	2.6201	2.4409	3.1036	3.1036	3.6785	2.5826	2.5826
O4	2.2468	1.2629	3.4026		2.6201	2.3987	3.6785	2.5826	2.5826	2.4409	3.1036	3.1036
C5	1.4698	2.3503	2.3987	2.6201		3.6960	1.0867	1.0921	1.0921	4.3989	4.0189	4.0189
C6	2.3503	1.4698	2.6201	2.3987	3.6960		4.3989	4.0189	4.0189	1.0867	1.0921	1.0921
H7	2.0486	3.2184	2.4409	3.6785	1.0867	4.3989		1.8078	1.8078	5.2347	4.5767	4.5767
H8	2.1026	2.6358	3.1036	2.5826	1.0921	4.0189	1.8078		1.7682	4.5767	4.2310	4.5856
H9	2.1026	2.6358	3.1036	2.5826	1.0921	4.0189	1.8078	1.7682		4.5767	4.5856	4.2310
H10	3.2184	2.0486	3.6785	2.4409	4.3989	1.0867	5.2347	4.5767	4.5767		1.8078	1.8078
H11	2.6358	2.1026	2.5826	3.1036	4.0189	1.0921	4.5767	4.2310	4.5856	1.8078		1.7682
H12	2.6358	2.1026	2.5826	3.1036	4.0189	1.0921	4.5767	4.5856	4.2310	1.8078	1.7682

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O4	121.907	N1	N2	C6	115.520
N1	C5	H7	105.537	N1	C5	H8	109.426
N1	C5	H9	109.426	N2	N1	O3	121.907
N2	N1	C5	115.520	N2	C6	H10	105.537
N2	C6	H11	109.426	N2	C6	H12	109.426
O3	N1	C5	122.574	O4	N2	C6	122.574
H7	C5	H8	112.146	H7	C5	H9	112.146
H8	C5	H9	108.104	H10	C6	H11	112.146
H10	C6	H12	112.146	H11	C6	H12	108.104

All results from a given calculation for C₂H₆N₂O₂ ((E)-Azodioxymethane)

using model chemistry: B3LYP/6-31G(2df,p)

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	N	0.299
2	N	0.299
3	O	-0.484
4	O	-0.484
5	C	-0.315
6	C	-0.315
7	H	0.164
8	H	0.169
9	H	0.169
10	H	0.164
11	H	0.169
12	H	0.169

	x	y	z
x	7.736	-0.280	0.000
y	-0.280	9.244	0.000
z	0.000	0.000	4.669

<r²>	149.939
(<r²>)^1/2	12.245

All results from a given calculation for C2H6N2O2 ((E)-Azodioxymethane)

using model chemistry: B3LYP/6-31G(2df,p)

States and conformations

All results from a given calculation for C₂H₆N₂O₂ ((E)-Azodioxymethane)