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	hartrees
Energy at 0K	-66.528752
Energy at 298.15K	-66.537619
Nuclear repulsion energy	143.120424

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3210	3100	0.00
2	A_g	3079	2973	0.00
3	A_g	1564	1510	0.00
4	A_g	1452	1402	0.00
5	A_g	1426	1377	0.00
6	A_g	1394	1346	0.00
7	A_g	1097	1059	0.00
8	A_g	772	745	0.00
9	A_g	602	582	0.00
10	A_g	392	379	0.00
11	A_u	3156	3048	24.84
12	A_u	1464	1414	23.39
13	A_u	1123	1085	0.32
14	A_u	323	312	4.29
15	A_u	181	175	13.61
16	A_u	119	115	5.27
17	B_g	3155	3047	0.00
18	B_g	1462	1412	0.00
19	B_g	1095	1058	0.00
20	B_g	475	459	0.00
21	B_g	153	148	0.00
22	B_u	3211	3101	6.24
23	B_u	3078	2973	18.70
24	B_u	1473	1423	0.27
25	B_u	1426	1377	17.76
26	B_u	1330	1284	331.80
27	B_u	1134	1095	61.96
28	B_u	940	908	29.05
29	B_u	524	506	38.56
30	B_u	287	277	24.00

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.661	0.000
N2	0.000	-0.661	0.000
O3	-1.096	1.339	0.000
O4	1.096	-1.339	0.000
C5	1.336	1.311	0.000
C6	-1.336	-1.311	0.000
H7	1.139	2.389	0.000
H8	1.895	0.992	0.893
H9	1.895	0.992	-0.893
H10	-1.139	-2.389	0.000
H11	-1.895	-0.992	0.893
H12	-1.895	-0.992	-0.893

	N1	N2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
N1		1.3228	1.2887	2.2810	1.4858	2.3824	2.0690	2.1208	2.1208	3.2559	2.6686	2.6686
N2	1.3228		2.2810	1.2887	2.3824	1.4858	3.2559	2.6686	2.6686	2.0690	2.1208	2.1208
O3	1.2887	2.2810		3.4609	2.4328	2.6605	2.4693	3.1410	3.1410	3.7280	2.6206	2.6206
O4	2.2810	1.2887	3.4609		2.6605	2.4328	3.7280	2.6206	2.6206	2.4693	3.1410	3.1410
C5	1.4858	2.3824	2.4328	2.6605		3.7439	1.0960	1.1009	1.1009	4.4513	4.0670	4.0670
C6	2.3824	1.4858	2.6605	2.4328	3.7439		4.4513	4.0670	4.0670	1.0960	1.1009	1.1009
H7	2.0690	3.2559	2.4693	3.7280	1.0960	4.4513		1.8227	1.8227	5.2928	4.6292	4.6292
H8	2.1208	2.6686	3.1410	2.6206	1.1009	4.0670	1.8227		1.7867	4.6292	4.2775	4.6356
H9	2.1208	2.6686	3.1410	2.6206	1.1009	4.0670	1.8227	1.7867		4.6292	4.6356	4.2775
H10	3.2559	2.0690	3.7280	2.4693	4.4513	1.0960	5.2928	4.6292	4.6292		1.8227	1.8227
H11	2.6686	2.1208	2.6206	3.1410	4.0670	1.1009	4.6292	4.2775	4.6356	1.8227		1.7867
H12	2.6686	2.1208	2.6206	3.1410	4.0670	1.1009	4.6292	4.6356	4.2775	1.8227	1.7867

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O4	121.710	N1	N2	C6	115.923
N1	C5	H7	105.528	N1	C5	H8	109.247
N1	C5	H9	109.247	N2	N1	O3	121.710
N2	N1	C5	115.923	N2	C6	H10	105.528
N2	C6	H11	109.247	N2	C6	H12	109.247
O3	N1	C5	122.367	O4	N2	C6	122.367
H7	C5	H8	112.126	H7	C5	H9	112.126
H8	C5	H9	108.485	H10	C6	H11	112.126
H10	C6	H12	112.126	H11	C6	H12	108.485

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

using model chemistry: B3LYP/CEP-31G*

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	0.183
2	N	0.183
3	O	-0.274
4	O	-0.274
5	C	-0.586
6	C	-0.586
7	H	0.241
8	H	0.218
9	H	0.218
10	H	0.241
11	H	0.218
12	H	0.218

	x	y	z
x	7.784	-0.747	0.000
y	-0.747	9.408	0.000
z	0.000	0.000	4.225

<r²>	125.893
(<r²>)^1/2	11.220

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

using model chemistry: B3LYP/CEP-31G*

States and conformations

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