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	hartrees
Energy at 0K	-339.588998
Energy at 298.15K	-339.597810
Nuclear repulsion energy	253.335743

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	1478	1420	0.00
5	A_g	1404	1350	0.00
6	A_g	1368	1315	0.00
7	A_g	1099	1056	0.00
8	A_g	750	721	0.00
9	A_g	596	573	0.00
10	A_g	388	373	0.00
11	A_u	3172	3049	19.37
12	A_u	1490	1432	41.23
13	A_u	1146	1102	1.20
14	A_u	315	303	1.20
15	A_u	180	173	19.13
16	A_u	107	103	3.85
17	B_g	3171	3048	0.00
18	B_g	1487	1429	0.00
19	B_g	1122	1079	0.00
20	B_g	497	477	0.00
21	B_g	135	130	0.00
22	B_u	3236	3110	1.64
23	B_u	3082	2962	9.25
24	B_u	1499	1441	14.73
25	B_u	1459	1402	15.28
26	B_u	1281	1231	163.87
27	B_u	1140	1096	75.64
28	B_u	943	906	44.59
29	B_u	517	497	37.43
30	B_u	281	270	24.46

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	1.319	1.339	0.000
C6	-1.319	-1.339	0.000
H7	1.110	2.408	0.000
H8	1.885	1.037	0.886
H9	1.885	1.037	-0.886
H10	-1.110	-2.408	0.000
H11	-1.885	-1.037	0.886
H12	-1.885	-1.037	-0.886

	N1	N2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
N1		1.3312	1.3214	2.3095	1.4812	2.3999	2.0662	2.1162	2.1162	3.2681	2.6908	2.6908
N2	1.3312		2.3095	1.3214	2.3999	1.4812	3.2681	2.6908	2.6908	2.0662	2.1162	2.1162
O3	1.3214	2.3095		3.5196	2.4510	2.6933	2.4804	3.1599	3.1599	3.7557	2.6537	2.6537
O4	2.3095	1.3214	3.5196		2.6933	2.4510	3.7557	2.6537	2.6537	2.4804	3.1599	3.1599
C5	1.4812	2.3999	2.4510	2.6933		3.7596	1.0890	1.0942	1.0942	4.4660	4.0869	4.0869
C6	2.3999	1.4812	2.6933	2.4510	3.7596		4.4660	4.0869	4.0869	1.0890	1.0942	1.0942
H7	2.0662	3.2681	2.4804	3.7557	1.0890	4.4660		1.8068	1.8068	5.3035	4.6510	4.6510
H8	2.1162	2.6908	3.1599	2.6537	1.0942	4.0869	1.8068		1.7728	4.6510	4.3039	4.6547
H9	2.1162	2.6908	3.1599	2.6537	1.0942	4.0869	1.8068	1.7728		4.6510	4.6547	4.3039
H10	3.2681	2.0662	3.7557	2.4804	4.4660	1.0890	5.3035	4.6510	4.6510		1.8068	1.8068
H11	2.6908	2.1162	2.6537	3.1599	4.0869	1.0942	4.6510	4.3039	4.6547	1.8068		1.7728
H12	2.6908	2.1162	2.6537	3.1599	4.0869	1.0942	4.6510	4.6547	4.3039	1.8068	1.7728

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O4	121.071	N1	N2	C6	117.049
N1	C5	H7	106.000	N1	C5	H8	109.597
N1	C5	H9	109.597	N2	N1	O3	121.071
N2	N1	C5	117.049	N2	C6	H10	106.000
N2	C6	H11	109.597	N2	C6	H12	109.597
O3	N1	C5	121.880	O4	N2	C6	121.880
H7	C5	H8	111.703	H7	C5	H9	111.703
H8	C5	H9	108.211	H10	C6	H11	111.703
H10	C6	H12	111.703	H11	C6	H12	108.211

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

using model chemistry: B3LYP/LANL2DZ

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	0.112
2	N	0.112
3	O	-0.343
4	O	-0.343
5	C	-0.526
6	C	-0.526
7	H	0.246
8	H	0.256
9	H	0.256
10	H	0.246
11	H	0.256
12	H	0.256

	x	y	z
x	7.718	-1.080	0.000
y	-1.080	9.251	0.000
z	0.000	0.000	4.018

<r²>	156.358
(<r²>)^1/2	12.504

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

using model chemistry: B3LYP/LANL2DZ

States and conformations

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