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	hartrees
Energy at 0K	-339.648950
Energy at 298.15K	-339.657945
Nuclear repulsion energy	258.821028

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3209	3113	0.00
2	A_g	3062	2970	0.00
3	A_g	1575	1528	0.00
4	A_g	1435	1392	0.00
5	A_g	1423	1381	0.00
6	A_g	1374	1333	0.00
7	A_g	1091	1058	0.00
8	A_g	793	769	0.00
9	A_g	626	608	0.00
10	A_g	407	395	0.00
11	A_u	3140	3046	7.01
12	A_u	1432	1389	22.39
13	A_u	1112	1079	0.27
14	A_u	328	318	6.99
15	A_u	190	185	10.95
16	A_u	111	107	2.73
17	B_g	3140	3046	0.00
18	B_g	1428	1386	0.00
19	B_g	1085	1053	0.00
20	B_g	491	476	0.00
21	B_g	150	146	0.00
22	B_u	3210	3113	0.27
23	B_u	3062	2970	12.67
24	B_u	1456	1412	6.33
25	B_u	1404	1362	74.91
26	B_u	1352	1311	246.79
27	B_u	1145	1110	38.87
28	B_u	948	919	37.97
29	B_u	548	532	38.70
30	B_u	298	289	23.13

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.655	0.000
N2	0.000	-0.655	0.000
O3	-1.074	1.322	0.000
O4	1.074	-1.322	0.000
C5	1.329	1.286	0.000
C6	-1.329	-1.286	0.000
H7	1.141	2.363	0.000
H8	1.888	0.961	0.889
H9	1.888	0.961	-0.889
H10	-1.141	-2.363	0.000
H11	-1.888	-0.961	0.889
H12	-1.888	-0.961	-0.889

	N1	N2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
N1		1.3102	1.2639	2.2496	1.4712	2.3523	2.0539	2.1093	2.1093	3.2265	2.6397	2.6397
N2	1.3102		2.2496	1.2639	2.3523	1.4712	3.2265	2.6397	2.6397	2.0539	2.1093	2.1093
O3	1.2639	2.2496		3.4058	2.4032	2.6199	2.4472	3.1133	3.1133	3.6853	2.5819	2.5819
O4	2.2496	1.2639	3.4058		2.6199	2.4032	3.6853	2.5819	2.5819	2.4472	3.1133	3.1133
C5	1.4712	2.3523	2.4032	2.6199		3.6985	1.0936	1.0993	1.0993	4.4061	4.0237	4.0237
C6	2.3523	1.4712	2.6199	2.4032	3.6985		4.4061	4.0237	4.0237	1.0936	1.0993	1.0993
H7	2.0539	3.2265	2.4472	3.6853	1.0936	4.4061		1.8203	1.8203	5.2479	4.5843	4.5843
H8	2.1093	2.6397	3.1133	2.5819	1.0993	4.0237	1.8203		1.7789	4.5843	4.2372	4.5955
H9	2.1093	2.6397	3.1133	2.5819	1.0993	4.0237	1.8203	1.7789		4.5843	4.5955	4.2372
H10	3.2265	2.0539	3.6853	2.4472	4.4061	1.0936	5.2479	4.5843	4.5843		1.8203	1.8203
H11	2.6397	2.1093	2.5819	3.1133	4.0237	1.0993	4.5843	4.2372	4.5955	1.8203		1.7789
H12	2.6397	2.1093	2.5819	3.1133	4.0237	1.0993	4.5843	4.5955	4.2372	1.8203	1.7789

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O4	121.833	N1	N2	C6	115.382
N1	C5	H7	105.468	N1	C5	H8	109.436
N1	C5	H9	109.436	N2	N1	O3	121.833
N2	N1	C5	115.382	N2	C6	H10	105.468
N2	C6	H11	109.436	N2	C6	H12	109.436
O3	N1	C5	122.786	O4	N2	C6	122.786
H7	C5	H8	112.216	H7	C5	H9	112.216
H8	C5	H9	108.017	H10	C6	H11	112.216
H10	C6	H12	112.216	H11	C6	H12	108.017

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

using model chemistry: B3LYP/cc-pVDZ

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	0.077
2	N	0.077
3	O	-0.363
4	O	-0.363
5	C	0.112
6	C	0.112
7	H	0.051
8	H	0.061
9	H	0.061
10	H	0.051
11	H	0.061
12	H	0.061

	x	y	z
x	7.694	-0.284	0.000
y	-0.284	9.114	0.000
z	0.000	0.000	4.327

<r²>	150.455
(<r²>)^1/2	12.266

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

using model chemistry: B3LYP/cc-pVDZ

States and conformations

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