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	hartrees
Energy at 0K	-339.589785
Energy at 298.15K	-339.598600
Nuclear repulsion energy	253.325217

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3235	3110	0.00
2	A_g	3082	2962	0.00
3	A_g	1522	1463	0.00
4	A_g	1477	1420	0.00
5	A_g	1404	1350	0.00
6	A_g	1367	1314	0.00
7	A_g	1099	1056	0.00
8	A_g	749	720	0.00
9	A_g	596	573	0.00
10	A_g	388	373	0.00
11	A_u	3172	3049	19.65
12	A_u	1489	1431	41.21
13	A_u	1146	1102	1.16
14	A_u	315	303	1.25
15	A_u	180	173	18.98
16	A_u	108	104	3.90
17	B_g	3171	3048	0.00
18	B_g	1486	1429	0.00
19	B_g	1122	1078	0.00
20	B_g	496	477	0.00
21	B_g	136	131	0.00
22	B_u	3235	3110	1.73
23	B_u	3082	2963	9.42
24	B_u	1498	1440	14.62
25	B_u	1458	1402	15.07
26	B_u	1280	1231	164.28
27	B_u	1140	1096	76.18
28	B_u	942	906	44.25
29	B_u	517	497	37.51
30	B_u	281	270	24.43

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.666	0.000
N2	0.000	-0.666	0.000
O3	-1.132	1.348	0.000
O4	1.132	-1.348	0.000
C5	1.320	1.339	0.000
C6	-1.320	-1.339	0.000
H7	1.111	2.408	0.000
H8	1.886	1.037	0.886
H9	1.886	1.037	-0.886
H10	-1.111	-2.408	0.000
H11	-1.886	-1.037	0.886
H12	-1.886	-1.037	-0.886

	N1	N2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
N1		1.3315	1.3212	2.3097	1.4814	2.4001	2.0665	2.1165	2.1165	3.2684	2.6910	2.6910
N2	1.3315		2.3097	1.3212	2.4001	1.4814	3.2684	2.6910	2.6910	2.0665	2.1165	2.1165
O3	1.3212	2.3097		3.5197	2.4511	2.6934	2.4807	3.1600	3.1600	3.7559	2.6538	2.6538
O4	2.3097	1.3212	3.5197		2.6934	2.4511	3.7559	2.6538	2.6538	2.4807	3.1600	3.1600
C5	1.4814	2.4001	2.4511	2.6934		3.7599	1.0891	1.0942	1.0942	4.4664	4.0872	4.0872
C6	2.4001	1.4814	2.6934	2.4511	3.7599		4.4664	4.0872	4.0872	1.0891	1.0942	1.0942
H7	2.0665	3.2684	2.4807	3.7559	1.0891	4.4664		1.8068	1.8068	5.3040	4.6515	4.6515
H8	2.1165	2.6910	3.1600	2.6538	1.0942	4.0872	1.8068		1.7728	4.6515	4.3042	4.6550
H9	2.1165	2.6910	3.1600	2.6538	1.0942	4.0872	1.8068	1.7728		4.6515	4.6550	4.3042
H10	3.2684	2.0665	3.7559	2.4807	4.4664	1.0891	5.3040	4.6515	4.6515		1.8068	1.8068
H11	2.6910	2.1165	2.6538	3.1600	4.0872	1.0942	4.6515	4.3042	4.6550	1.8068		1.7728
H12	2.6910	2.1165	2.6538	3.1600	4.0872	1.0942	4.6515	4.6550	4.3042	1.8068	1.7728

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O4	121.082	N1	N2	C6	117.030
N1	C5	H7	106.005	N1	C5	H8	109.603
N1	C5	H9	109.603	N2	N1	O3	121.082
N2	N1	C5	117.030	N2	C6	H10	106.005
N2	C6	H11	109.603	N2	C6	H12	109.603
O3	N1	C5	121.887	O4	N2	C6	121.887
H7	C5	H8	111.698	H7	C5	H9	111.698
H8	C5	H9	108.207	H10	C6	H11	111.698
H10	C6	H12	111.698	H11	C6	H12	108.207

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

using model chemistry: B3LYP/SDD

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	0.109
2	N	0.109
3	O	-0.340
4	O	-0.340
5	C	-0.520
6	C	-0.520
7	H	0.244
8	H	0.253
9	H	0.253
10	H	0.244
11	H	0.253
12	H	0.253

	x	y	z
x	7.726	-1.078	0.000
y	-1.078	9.261	0.000
z	0.000	0.000	4.026

<r²>	156.381
(<r²>)^1/2	12.505

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

using model chemistry: B3LYP/SDD

States and conformations

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