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	hartrees
Energy at 0K	-339.634813
Energy at 298.15K	-339.643773
Nuclear repulsion energy	258.652827

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3218	3091	0.00
2	A_g	3078	2957	0.00
3	A_g	1584	1522	0.00
4	A_g	1471	1413	0.00
5	A_g	1437	1380	0.00
6	A_g	1399	1344	0.00
7	A_g	1108	1064	0.00
8	A_g	790	759	0.00
9	A_g	624	600	0.00
10	A_g	406	390	0.00
11	A_u	3153	3029	6.80
12	A_u	1476	1418	21.24
13	A_u	1133	1089	0.06
14	A_u	327	315	5.07
15	A_u	189	182	12.59
16	A_u	105	101	2.93
17	B_g	3152	3029	0.00
18	B_g	1473	1416	0.00
19	B_g	1104	1060	0.00
20	B_g	492	472	0.00
21	B_g	144	139	0.00
22	B_u	3218	3092	0.63
23	B_u	3078	2957	10.89
24	B_u	1492	1434	0.33
25	B_u	1435	1379	40.84
26	B_u	1366	1312	274.22
27	B_u	1154	1109	44.82
28	B_u	957	919	32.82
29	B_u	545	523	38.80
30	B_u	297	286	24.76

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.655	0.000
N2	0.000	-0.655	0.000
O3	-1.079	1.323	0.000
O4	1.079	-1.323	0.000
C5	1.327	1.290	0.000
C6	-1.327	-1.290	0.000
H7	1.136	2.360	0.000
H8	1.882	0.973	0.885
H9	1.882	0.973	-0.885
H10	-1.136	-2.360	0.000
H11	-1.882	-0.973	0.885
H12	-1.882	-0.973	-0.885

	N1	N2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
N1		1.3096	1.2689	2.2529	1.4709	2.3544	2.0491	2.1040	2.1040	3.2219	2.6411	2.6411
N2	1.3096		2.2529	1.2689	2.3544	1.4709	3.2219	2.6411	2.6411	2.0491	2.1040	2.1040
O3	1.2689	2.2529		3.4141	2.4053	2.6253	2.4453	3.1098	3.1098	3.6838	2.5889	2.5889
O4	2.2529	1.2689	3.4141		2.6253	2.4053	3.6838	2.5889	2.5889	2.4453	3.1098	3.1098
C5	1.4709	2.3544	2.4053	2.6253		3.7012	1.0866	1.0920	1.0920	4.4035	4.0252	4.0252
C6	2.3544	1.4709	2.6253	2.4053	3.7012		4.4035	4.0252	4.0252	1.0866	1.0920	1.0920
H7	2.0491	3.2219	2.4453	3.6838	1.0866	4.4035		1.8065	1.8065	5.2387	4.5829	4.5829
H8	2.1040	2.6411	3.1098	2.5889	1.0920	4.0252	1.8065		1.7700	4.5829	4.2376	4.5924
H9	2.1040	2.6411	3.1098	2.5889	1.0920	4.0252	1.8065	1.7700		4.5829	4.5924	4.2376
H10	3.2219	2.0491	3.6838	2.4453	4.4035	1.0866	5.2387	4.5829	4.5829		1.8065	1.8065
H11	2.6411	2.1040	2.5889	3.1098	4.0252	1.0920	4.5829	4.2376	4.5924	1.8065		1.7700
H12	2.6411	2.1040	2.5889	3.1098	4.0252	1.0920	4.5829	4.5924	4.2376	1.8065	1.7700

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O4	121.789	N1	N2	C6	115.602
N1	C5	H7	105.508	N1	C5	H8	109.467
N1	C5	H9	109.467	N2	N1	O3	121.789
N2	N1	C5	115.602	N2	C6	H10	105.508
N2	C6	H11	109.467	N2	C6	H12	109.467
O3	N1	C5	122.609	O4	N2	C6	122.609
H7	C5	H8	112.035	H7	C5	H9	112.035
H8	C5	H9	108.275	H10	C6	H11	112.035
H10	C6	H12	112.035	H11	C6	H12	108.275

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

using model chemistry: B3LYP/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	N	0.195
2	N	0.195
3	O	-0.500
4	O	-0.500
5	C	-0.170
6	C	-0.170
7	H	0.154
8	H	0.160
9	H	0.160
10	H	0.154
11	H	0.160
12	H	0.160

	x	y	z
x	7.456	-0.469	0.000
y	-0.469	8.970	0.000
z	0.000	0.000	4.310

<r²>	150.555
(<r²>)^1/2	12.270

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

using model chemistry: B3LYP/6-31G**

States and conformations

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