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	hartrees
Energy at 0K	-335.131778
Energy at 298.15K	-335.138870
HF Energy	-335.131778
Nuclear repulsion energy	234.383206

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3487	3112	0.00
2	A_g	3475	3101	0.00
3	A_g	3287	2933	0.00
4	A_g	1635	1459	0.00
5	A_g	1626	1451	0.00
6	A_g	1539	1373	0.00
7	A_g	1466	1308	0.00
8	A_g	1152	1028	0.00
9	A_g	1069	954	0.00
10	A_g	886	790	0.00
11	A_g	525	468	0.00
12	A_g	453	404	0.00
13	A_g	334	298	0.00
14	A_g	149	133	0.00
15	A_g	79	70	0.00
16	A_u	3487	3112	0.88
17	A_u	3475	3101	0.82
18	A_u	3287	2933	4.78
19	A_u	1635	1460	9.75
20	A_u	1626	1451	7.35
21	A_u	1559	1391	48.44
22	A_u	1445	1289	44.66
23	A_u	1136	1014	45.59
24	A_u	1034	923	7.69
25	A_u	875	780	32.15
26	A_u	495	442	3.25
27	A_u	298	266	15.69
28	A_u	153	137	3.03
29	A_u	122	109	6.36
30	A_u	35	31	4.21

Atom	x (Å)	y (Å)	z (Å)
N1	0.844	-0.293	0.337
N2	-0.844	0.293	-0.337
O3	1.219	-1.453	-0.093
O4	-1.219	1.453	0.093
C5	1.847	0.872	-0.050
C6	-1.847	-0.872	0.050
H7	2.392	0.626	-0.977
H8	1.244	1.787	-0.169
H9	2.554	0.990	0.790
H10	-2.554	-0.990	-0.790
H11	-1.244	-1.787	0.169
H12	-2.392	-0.626	0.977

	N1	N2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
N1		1.9102	1.2931	2.7144	1.5854	2.7673	2.2289	2.1785	2.1852	3.6469	2.5732	3.3153
N2	1.9102		2.7144	1.2931	2.7673	1.5854	3.3153	2.5732	3.6469	2.1852	2.1785	2.2289
O3	1.2931	2.7144		3.7989	2.4088	3.1242	2.5453	3.2417	2.9207	3.8646	2.4999	3.8564
O4	2.7144	1.2931	3.7989		3.1242	2.4088	3.8564	2.4999	3.8646	2.9207	3.2417	2.5453
C5	1.5854	2.7673	2.4088	3.1242		4.0858	1.1031	1.1025	1.1037	4.8352	4.0834	4.6114
C6	2.7673	1.5854	3.1242	2.4088	4.0858		4.6114	4.0834	4.8352	1.1037	1.1025	1.1031
H7	2.2289	3.3153	2.5453	3.8564	1.1031	4.6114		1.8219	1.8106	5.2064	4.5120	5.3169
H8	2.1785	2.5732	3.2417	2.4999	1.1025	4.0834	1.8219		1.8080	4.7460	4.3687	4.5120
H9	2.1852	3.6469	2.9207	3.8646	1.1037	4.8352	1.8106	1.8080		5.7009	4.7460	5.2064
H10	3.6469	2.1852	3.8646	2.9207	4.8352	1.1037	5.2064	4.7460	5.7009		1.8080	1.8106
H11	2.5732	2.1785	2.4999	3.2417	4.0834	1.1025	4.5120	4.3687	4.7460	1.8080		1.8219
H12	3.3153	2.2289	3.8564	2.5453	4.6114	1.1031	5.3169	4.5120	5.2064	1.8106	1.8219

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O4	114.483	N1	N2	C6	104.297
N1	C5	H7	110.724	N1	C5	H8	106.915
N1	C5	H9	107.345	N2	N1	O3	114.483
N2	N1	C5	104.297	N2	C6	H10	107.345
N2	C6	H11	106.915	N2	C6	H12	110.724
O3	N1	C5	113.226	O4	N2	C6	113.226
H7	C5	H8	111.387	H7	C5	H9	110.265
H8	C5	H9	110.075	H10	C6	H11	110.075
H10	C6	H12	110.265	H11	C6	H12	111.387

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

using model chemistry: B3LYP/STO-3G

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	-0.010
2	N	-0.010
3	O	-0.103
4	O	-0.103
5	C	-0.173
6	C	-0.173
7	H	0.092
8	H	0.102
9	H	0.093
10	H	0.093
11	H	0.102
12	H	0.092

	x	y	z	Total
	0.000	0.000	0.000	0.000
CHELPG
AIM
ESP

	x	y	z
x	7.508	-0.723	0.406
y	-0.723	5.145	0.161
z	0.406	0.161	2.354

<r²>	180.312
(<r²>)^1/2	13.428

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

using model chemistry: B3LYP/STO-3G

States and conformations

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