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	hartrees
Energy at 0K	-338.732350
Energy at 298.15K	-338.741539
HF Energy	-337.670906
Nuclear repulsion energy	260.007958

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3314	3087	0.00
2	A_g	3166	2950	0.00
3	A_g	1665	1551	0.00
4	A_g	1526	1421	0.00
5	A_g	1517	1414	0.00
6	A_g	1476	1375	0.00
7	A_g	1155	1076	0.00
8	A_g	833	776	0.00
9	A_g	645	601	0.00
10	A_g	422	393	0.00
11	A_u	3254	3032	5.13
12	A_u	1519	1415	23.35
13	A_u	1168	1088	0.53
14	A_u	332	309	8.67
15	A_u	191	178	11.51
16	A_u	128	119	7.77
17	B_g	3254	3031	0.00
18	B_g	1518	1414	0.00
19	B_g	1142	1063	0.00
20	B_g	516	480	0.00
21	B_g	169	157	0.00
22	B_u	3314	3088	1.33
23	B_u	3167	2950	10.28
24	B_u	1536	1431	0.30
25	B_u	1490	1388	12.29
26	B_u	1405	1309	534.56
27	B_u	1211	1128	61.25
28	B_u	1009	940	54.74
29	B_u	561	523	51.98
30	B_u	313	291	29.23

Atom	x (Å)	y (Å)	z (Å)
N1	-0.057	0.646	0.000
N2	0.057	-0.646	0.000
O3	-1.189	1.227	0.000
O4	1.189	-1.227	0.000
C5	1.189	1.396	0.000
C6	-1.189	-1.396	0.000
H7	0.891	2.436	0.000
H8	1.765	1.140	0.886
H9	1.765	1.140	-0.886
H10	-0.891	-2.436	0.000
H11	-1.765	-1.140	0.886
H12	-1.765	-1.140	-0.886

	N1	N2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
N1		1.2963	1.2731	2.2493	1.4542	2.3344	2.0256	2.0850	2.0850	3.1925	2.6252	2.6252
N2	1.2963		2.2493	1.2731	2.3344	1.4542	3.1925	2.6252	2.6252	2.0256	2.0850	2.0850
O3	1.2731	2.2493		3.4175	2.3844	2.6226	2.4059	3.0851	3.0851	3.6750	2.5924	2.5924
O4	2.2493	1.2731	3.4175		2.6226	2.3844	3.6750	2.5924	2.5924	2.4059	3.0851	3.0851
C5	1.4542	2.3344	2.3844	2.6226		3.6671	1.0821	1.0872	1.0872	4.3597	3.9926	3.9926
C6	2.3344	1.4542	2.6226	2.3844	3.6671		4.3597	3.9926	3.9926	1.0821	1.0872	1.0872
H7	2.0256	3.1925	2.4059	3.6750	1.0821	4.3597		1.7965	1.7965	5.1874	4.5416	4.5416
H8	2.0850	2.6252	3.0851	2.5924	1.0872	3.9926	1.7965		1.7728	4.5416	4.2018	4.5604
H9	2.0850	2.6252	3.0851	2.5924	1.0872	3.9926	1.7965	1.7728		4.5416	4.5604	4.2018
H10	3.1925	2.0256	3.6750	2.4059	4.3597	1.0821	5.1874	4.5416	4.5416		1.7965	1.7965
H11	2.6252	2.0850	2.5924	3.0851	3.9926	1.0872	4.5416	4.2018	4.5604	1.7965		1.7728
H12	2.6252	2.0850	2.5924	3.0851	3.9926	1.0872	4.5416	4.5604	4.2018	1.7965	1.7728

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O4	122.189	N1	N2	C6	116.030
N1	C5	H7	105.051	N1	C5	H8	109.406
N1	C5	H9	109.406	N2	N1	O3	122.189
N2	N1	C5	116.030	N2	C6	H10	105.051
N2	C6	H11	109.406	N2	C6	H12	109.406
O3	N1	C5	121.781	O4	N2	C6	121.781
H7	C5	H8	111.816	H7	C5	H9	111.816
H8	C5	H9	109.239	H10	C6	H11	111.816
H10	C6	H12	111.816	H11	C6	H12	109.239

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

using model chemistry: MP3=FULL/6-31+G**

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

using model chemistry: MP3=FULL/6-31+G**

States and conformations

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