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	hartrees
Energy at 0K	-339.573443
Energy at 298.15K	-339.582142
Nuclear repulsion energy	255.819486

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3124	3107	0.00
2	A_g	2991	2975	0.00
3	A_g	1487	1479	0.00
4	A_g	1410	1402	0.00
5	A_g	1377	1370	0.00
6	A_g	1281	1274	0.00
7	A_g	1060	1054	0.00
8	A_g	733	729	0.00
9	A_g	588	585	0.00
10	A_g	384	382	0.00
11	A_u	3059	3042	10.27
12	A_u	1424	1416	16.73
13	A_u	1095	1088	0.00
14	A_u	311	309	3.58
15	A_u	179	178	10.44
16	A_u	98	98	2.15
17	B_g	3058	3042	0.00
18	B_g	1421	1413	0.00
19	B_g	1065	1059	0.00
20	B_g	439	437	0.00
21	B_g	134	133	0.00
22	B_u	3125	3108	1.59
23	B_u	2991	2975	13.97
24	B_u	1443	1435	1.34
25	B_u	1384	1376	32.13
26	B_u	1312	1304	218.03
27	B_u	1108	1102	37.93
28	B_u	901	896	23.55
29	B_u	519	516	30.91
30	B_u	279	278	21.35

Atom	x (Å)	y (Å)	z (Å)
N1	-0.067	0.667	0.000
N2	0.067	-0.667	0.000
O3	-1.211	1.231	0.000
O4	1.211	-1.231	0.000
C5	1.211	1.425	0.000
C6	-1.211	-1.425	0.000
H7	0.923	2.480	0.000
H8	1.797	1.158	0.890
H9	1.797	1.158	-0.890
H10	-0.923	-2.480	0.000
H11	-1.797	-1.158	0.890
H12	-1.797	-1.158	-0.890

	N1	N2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
N1		1.3412	1.2759	2.2887	1.4858	2.3852	2.0657	2.1230	2.1230	3.2620	2.6679	2.6679
N2	1.3412		2.2887	1.2759	2.3852	1.4858	3.2620	2.6679	2.6679	2.0657	2.1230	2.1230
O3	1.2759	2.2887		3.4545	2.4300	2.6570	2.4728	3.1381	3.1381	3.7230	2.6162	2.6162
O4	2.2887	1.2759	3.4545		2.6570	2.4300	3.7230	2.6162	2.6162	2.4728	3.1381	3.1381
C5	1.4858	2.3852	2.4300	2.6570		3.7410	1.0934	1.0990	1.0990	4.4509	4.0639	4.0639
C6	2.3852	1.4858	2.6570	2.4300	3.7410		4.4509	4.0639	4.0639	1.0934	1.0990	1.0990
H7	2.0657	3.2620	2.4728	3.7230	1.0934	4.4509		1.8182	1.8182	5.2931	4.6291	4.6291
H8	2.1230	2.6679	3.1381	2.6162	1.0990	4.0639	1.8182		1.7806	4.6291	4.2756	4.6316
H9	2.1230	2.6679	3.1381	2.6162	1.0990	4.0639	1.8182	1.7806		4.6291	4.6316	4.2756
H10	3.2620	2.0657	3.7230	2.4728	4.4509	1.0934	5.2931	4.6291	4.6291		1.8182	1.8182
H11	2.6679	2.1230	2.6162	3.1381	4.0639	1.0990	4.6291	4.2756	4.6316	1.8182		1.7806
H12	2.6679	2.1230	2.6162	3.1381	4.0639	1.0990	4.6291	4.6316	4.2756	1.8182	1.7806

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O4	121.953	N1	N2	C6	114.975
N1	C5	H7	105.414	N1	C5	H8	109.530
N1	C5	H9	109.530	N2	N1	O3	121.953
N2	N1	C5	114.975	N2	C6	H10	105.414
N2	C6	H11	109.530	N2	C6	H12	109.530
O3	N1	C5	123.071	O4	N2	C6	123.071
H7	C5	H8	112.051	H7	C5	H9	112.051
H8	C5	H9	108.215	H10	C6	H11	112.051
H10	C6	H12	112.051	H11	C6	H12	108.215

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

using model chemistry: BLYP/6-31G(2df,p)

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	0.268
2	N	0.268
3	O	-0.425
4	O	-0.425
5	C	-0.290
6	C	-0.290
7	H	0.144
8	H	0.151
9	H	0.151
10	H	0.144
11	H	0.151
12	H	0.151

	x	y	z
x	8.194	-0.272	0.000
y	-0.272	9.438	0.000
z	0.000	0.000	4.776

<r²>	153.466
(<r²>)^1/2	12.388

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

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

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