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	hartrees
Energy at 0K	-337.642358
Energy at 298.15K	-337.651296
Nuclear repulsion energy	255.649277

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3251	3087	0.00
2	A_g	3108	2952	0.00
3	A_g	1560	1482	0.00
4	A_g	1474	1399	0.00
5	A_g	1394	1324	0.00
6	A_g	1340	1272	0.00
7	A_g	1084	1030	0.00
8	A_g	741	704	0.00
9	A_g	611	580	0.00
10	A_g	382	363	0.00
11	A_u	3182	3022	3.47
12	A_u	1533	1456	33.58
13	A_u	1161	1103	0.99
14	A_u	295	280	1.65
15	A_u	207	196	15.05
16	A_u	137	130	3.53
17	B_g	3181	3021	0.00
18	B_g	1529	1452	0.00
19	B_g	1131	1074	0.00
20	B_g	488	464	0.00
21	B_g	170	162	0.00
22	B_u	3251	3087	0.71
23	B_u	3109	2952	5.77
24	B_u	1543	1465	17.94
25	B_u	1461	1387	20.16
26	B_u	1275	1211	102.18
27	B_u	1146	1088	45.43
28	B_u	927	880	46.25
29	B_u	486	462	32.26
30	B_u	296	281	29.14

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.662	0.000
N2	0.000	-0.662	0.000
O3	-1.130	1.339	0.000
O4	1.130	-1.339	0.000
C5	1.343	1.261	0.000
C6	-1.343	-1.261	0.000
H7	1.181	2.334	0.000
H8	1.883	0.922	0.886
H9	1.883	0.922	-0.886
H10	-1.181	-2.334	0.000
H11	-1.883	-0.922	0.886
H12	-1.883	-0.922	-0.886

	N1	N2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
N1		1.3236	1.3173	2.2980	1.4703	2.3451	2.0473	2.0971	2.0971	3.2203	2.6153	2.6153
N2	1.3236		2.2980	1.3173	2.3451	1.4703	3.2203	2.6153	2.6153	2.0473	2.0971	2.0971
O3	1.3173	2.2980		3.5044	2.4737	2.6089	2.5159	3.1678	3.1678	3.6737	2.5431	2.5431
O4	2.2980	1.3173	3.5044		2.6089	2.4737	3.6737	2.5431	2.5431	2.5159	3.1678	3.1678
C5	1.4703	2.3451	2.4737	2.6089		3.6838	1.0852	1.0912	1.0912	4.3924	3.9945	3.9945
C6	2.3451	1.4703	2.6089	2.4737	3.6838		4.3924	3.9945	3.9945	1.0852	1.0912	1.0912
H7	2.0473	3.2203	2.5159	3.6737	1.0852	4.3924		1.8082	1.8082	5.2317	4.5583	4.5583
H8	2.0971	2.6153	3.1678	2.5431	1.0912	3.9945	1.8082		1.7714	4.5583	4.1935	4.5523
H9	2.0971	2.6153	3.1678	2.5431	1.0912	3.9945	1.8082	1.7714		4.5583	4.5523	4.1935
H10	3.2203	2.0473	3.6737	2.5159	4.3924	1.0852	5.2317	4.5583	4.5583		1.8082	1.8082
H11	2.6153	2.0971	2.5431	3.1678	3.9945	1.0912	4.5583	4.1935	4.5523	1.8082		1.7714
H12	2.6153	2.0971	2.5431	3.1678	3.9945	1.0912	4.5583	4.5523	4.1935	1.8082	1.7714

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O4	120.952	N1	N2	C6	114.044
N1	C5	H7	105.483	N1	C5	H8	109.011
N1	C5	H9	109.011	N2	N1	O3	120.952
N2	N1	C5	114.044	N2	C6	H10	105.483
N2	C6	H11	109.011	N2	C6	H12	109.011
O3	N1	C5	125.003	O4	N2	C6	125.003
H7	C5	H8	112.355	H7	C5	H9	112.355
H8	C5	H9	108.512	H10	C6	H11	112.355
H10	C6	H12	112.355	H11	C6	H12	108.512

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

using model chemistry: mPW1PW91/3-21G*

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	-0.009
2	N	-0.009
3	O	-0.368
4	O	-0.368
5	C	-0.430
6	C	-0.430
7	H	0.262
8	H	0.273
9	H	0.273
10	H	0.262
11	H	0.273
12	H	0.273

	x	y	z
x	7.028	-0.775	0.000
y	-0.775	8.074	0.000
z	0.000	0.000	3.559

<r²>	152.277
(<r²>)^1/2	12.340

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

using model chemistry: mPW1PW91/3-21G*

States and conformations

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