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	hartrees
Energy at 0K	-339.283310
Energy at 298.15K	-339.292391
Nuclear repulsion energy	260.500683

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3251	3092	0.00
2	A_g	3106	2953	0.00
3	A_g	1644	1563	0.00
4	A_g	1486	1413	0.00
5	A_g	1472	1400	0.00
6	A_g	1429	1359	0.00
7	A_g	1121	1066	0.00
8	A_g	820	779	0.00
9	A_g	643	612	0.00
10	A_g	415	394	0.00
11	A_u	3186	3030	4.32
12	A_u	1489	1416	24.67
13	A_u	1144	1088	0.21
14	A_u	341	324	5.00
15	A_u	197	187	12.83
16	A_u	114	108	3.12
17	B_g	3185	3029	0.00
18	B_g	1485	1413	0.00
19	B_g	1114	1060	0.00
20	B_g	517	492	0.00
21	B_g	154	146	0.00
22	B_u	3252	3092	0.43
23	B_u	3106	2954	9.67
24	B_u	1509	1435	8.17
25	B_u	1455	1384	109.16
26	B_u	1406	1337	249.92
27	B_u	1179	1121	27.42
28	B_u	983	935	36.85
29	B_u	558	531	38.37
30	B_u	303	288	25.66

Atom	x (Å)	y (Å)	z (Å)
N1	-0.063	0.646	0.000
N2	0.063	-0.646	0.000
O3	-1.190	1.205	0.000
O4	1.190	-1.205	0.000
C5	1.190	1.396	0.000
C6	-1.190	-1.396	0.000
H7	0.903	2.444	0.000
H8	1.774	1.131	0.885
H9	1.774	1.131	-0.885
H10	-0.903	-2.444	0.000
H11	-1.774	-1.131	0.885
H12	-1.774	-1.131	-0.885

	N1	N2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
N1		1.2989	1.2586	2.2357	1.4599	2.3329	2.0406	2.0956	2.0956	3.2027	2.6217	2.6217
N2	1.2989		2.2357	1.2586	2.3329	1.4599	3.2027	2.6217	2.6217	2.0406	2.0956	2.0956
O3	1.2586	2.2357		3.3879	2.3885	2.6007	2.4327	3.0946	3.0946	3.6604	2.5658	2.5658
O4	2.2357	1.2586	3.3879		2.6007	2.3885	3.6604	2.5658	2.5658	2.4327	3.0946	3.0946
C5	1.4599	2.3329	2.3885	2.6007		3.6688	1.0870	1.0927	1.0927	4.3734	3.9946	3.9946
C6	2.3329	1.4599	2.6007	2.3885	3.6688		4.3734	3.9946	3.9946	1.0870	1.0927	1.0927
H7	2.0406	3.2027	2.4327	3.6604	1.0870	4.3734		1.8069	1.8069	5.2111	4.5535	4.5535
H8	2.0956	2.6217	3.0946	2.5658	1.0927	3.9946	1.8069		1.7706	4.5535	4.2080	4.5653
H9	2.0956	2.6217	3.0946	2.5658	1.0927	3.9946	1.8069	1.7706		4.5535	4.5653	4.2080
H10	3.2027	2.0406	3.6604	2.4327	4.3734	1.0870	5.2111	4.5535	4.5535		1.8069	1.8069
H11	2.6217	2.0956	2.5658	3.0946	3.9946	1.0927	4.5535	4.2080	4.5653	1.8069		1.7706
H12	2.6217	2.0956	2.5658	3.0946	3.9946	1.0927	4.5535	4.5653	4.2080	1.8069	1.7706

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O4	121.878	N1	N2	C6	115.348
N1	C5	H7	105.551	N1	C5	H8	109.524
N1	C5	H9	109.524	N2	N1	O3	121.878
N2	N1	C5	115.348	N2	C6	H10	105.551
N2	C6	H11	109.524	N2	C6	H12	109.524
O3	N1	C5	122.774	O4	N2	C6	122.774
H7	C5	H8	111.983	H7	C5	H9	111.983
H8	C5	H9	108.231	H10	C6	H11	111.983
H10	C6	H12	111.983	H11	C6	H12	108.231

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

using model chemistry: HSEh1PBE/6-31G*

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	0.211
2	N	0.211
3	O	-0.504
4	O	-0.504
5	C	-0.380
6	C	-0.380
7	H	0.222
8	H	0.226
9	H	0.226
10	H	0.222
11	H	0.226
12	H	0.226

	x	y	z
x	7.404	-0.647	0.000
y	-0.647	8.691	0.000
z	0.000	0.000	4.259

<r²>	148.595
(<r²>)^1/2	12.190

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

using model chemistry: HSEh1PBE/6-31G*

States and conformations

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