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	hartrees
Energy at 0K	-339.512711
Energy at 298.15K	-339.521634
Nuclear repulsion energy	255.286369

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3234	3112	0.00
2	A_g	3087	2969	0.00
3	A_g	1541	1482	0.00
4	A_g	1488	1431	0.00
5	A_g	1412	1358	0.00
6	A_g	1366	1314	0.00
7	A_g	1107	1065	0.00
8	A_g	758	730	0.00
9	A_g	608	585	0.00
10	A_g	398	383	0.00
11	A_u	3165	3044	7.31
12	A_u	1509	1452	30.78
13	A_u	1158	1114	0.12
14	A_u	311	299	1.44
15	A_u	188	181	17.47
16	A_u	115	111	3.63
17	B_g	3164	3044	0.00
18	B_g	1506	1449	0.00
19	B_g	1130	1087	0.00
20	B_g	502	483	0.00
21	B_g	149	143	0.00
22	B_u	3235	3112	0.58
23	B_u	3087	2969	7.29
24	B_u	1520	1463	12.72
25	B_u	1467	1411	9.86
26	B_u	1289	1240	131.74
27	B_u	1144	1101	83.14
28	B_u	946	910	45.54
29	B_u	527	507	35.82
30	B_u	291	280	25.96

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.660	0.000
N2	0.000	-0.660	0.000
O3	-1.119	1.337	0.000
O4	1.119	-1.337	0.000
C5	1.319	1.318	0.000
C6	-1.319	-1.318	0.000
H7	1.114	2.385	0.000
H8	1.880	1.013	0.886
H9	1.880	1.013	-0.886
H10	-1.114	-2.385	0.000
H11	-1.880	-1.013	0.886
H12	-1.880	-1.013	-0.886

	N1	N2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
N1		1.3192	1.3082	2.2890	1.4743	2.3774	2.0539	2.1087	2.1087	3.2421	2.6683	2.6683
N2	1.3192		2.2890	1.3082	2.3774	1.4743	3.2421	2.6683	2.6683	2.0539	2.1087	2.1087
O3	1.3082	2.2890		3.4874	2.4382	2.6629	2.4670	3.1444	3.1444	3.7222	2.6247	2.6247
O4	2.2890	1.3082	3.4874		2.6629	2.4382	3.7222	2.6247	2.6247	2.4670	3.1444	3.1444
C5	1.4743	2.3774	2.4382	2.6629		3.7297	1.0863	1.0925	1.0925	4.4312	4.0568	4.0568
C6	2.3774	1.4743	2.6629	2.4382	3.7297		4.4312	4.0568	4.0568	1.0863	1.0925	1.0925
H7	2.0539	3.2421	2.4670	3.7222	1.0863	4.4312		1.8040	1.8040	5.2650	4.6153	4.6153
H8	2.1087	2.6683	3.1444	2.6247	1.0925	4.0568	1.8040		1.7724	4.6153	4.2720	4.6251
H9	2.1087	2.6683	3.1444	2.6247	1.0925	4.0568	1.8040	1.7724		4.6153	4.6251	4.2720
H10	3.2421	2.0539	3.7222	2.4670	4.4312	1.0863	5.2650	4.6153	4.6153		1.8040	1.8040
H11	2.6683	2.1087	2.6247	3.1444	4.0568	1.0925	4.6153	4.2720	4.6251	1.8040		1.7724
H12	2.6683	2.1087	2.6247	3.1444	4.0568	1.0925	4.6153	4.6251	4.2720	1.8040	1.7724

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O4	121.193	N1	N2	C6	116.533
N1	C5	H7	105.668	N1	C5	H8	109.572
N1	C5	H9	109.572	N2	N1	O3	121.193
N2	N1	C5	116.533	N2	C6	H10	105.668
N2	C6	H11	109.572	N2	C6	H12	109.572
O3	N1	C5	122.273	O4	N2	C6	122.273
H7	C5	H8	111.784	H7	C5	H9	111.784
H8	C5	H9	108.418	H10	C6	H11	111.784
H10	C6	H12	111.784	H11	C6	H12	108.418

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

using model chemistry: B3LYP/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	0.028
2	N	0.028
3	O	-0.403
4	O	-0.403
5	C	-0.213
6	C	-0.213
7	H	0.190
8	H	0.199
9	H	0.199
10	H	0.190
11	H	0.199
12	H	0.199

	x	y	z
x	7.438	-0.836	0.000
y	-0.836	8.871	0.000
z	0.000	0.000	3.925

<r²>	154.101
(<r²>)^1/2	12.414

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

using model chemistry: B3LYP/6-31G

States and conformations

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