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	hartrees
Energy at 0K	-337.791264
Energy at 298.15K	-337.800803
Nuclear repulsion energy	263.850749

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3350	3050	0.00
2	A_g	3219	2931	0.00
3	A_g	1830	1666	0.00
4	A_g	1625	1480	0.00
5	A_g	1577	1436	0.00
6	A_g	1547	1408	0.00
7	A_g	1213	1105	0.00
8	A_g	868	790	0.00
9	A_g	678	618	0.00
10	A_g	450	410	0.00
11	A_u	3295	3000	7.79
12	A_u	1593	1451	24.93
13	A_u	1246	1134	0.08
14	A_u	407	371	12.57
15	A_u	209	190	17.70
16	A_u	132	121	4.35
17	B_g	3295	2999	0.00
18	B_g	1592	1449	0.00
19	B_g	1235	1124	0.00
20	B_g	655	596	0.00
21	B_g	167	152	0.00
22	B_u	3351	3050	1.91
23	B_u	3219	2931	15.46
24	B_u	1593	1450	2.39
25	B_u	1557	1418	3.29
26	B_u	1364	1242	314.08
27	B_u	1174	1068	479.57
28	B_u	1025	933	197.53
29	B_u	585	533	73.90
30	B_u	334	304	26.61

Atom	x (Å)	y (Å)	z (Å)
N1	-0.056	0.614	0.000
N2	0.056	-0.614	0.000
O3	-1.173	1.178	0.000
O4	1.173	-1.178	0.000
C5	1.173	1.409	0.000
C6	-1.173	-1.409	0.000
H7	0.850	2.433	0.000
H8	1.749	1.161	0.877
H9	1.749	1.161	-0.877
H10	-0.850	-2.433	0.000
H11	-1.749	-1.161	0.877
H12	-1.749	-1.161	-0.877

	N1	N2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
N1		1.2336	1.2516	2.1730	1.4634	2.3116	2.0321	2.0801	2.0801	3.1494	2.6060	2.6060
N2	1.2336		2.1730	1.2516	2.3116	1.4634	3.1494	2.6060	2.6060	2.0321	2.0801	2.0801
O3	1.2516	2.1730		3.3249	2.3573	2.5875	2.3809	3.0512	3.0512	3.6258	2.5641	2.5641
O4	2.1730	1.2516	3.3249		2.5875	2.3573	3.6258	2.5641	2.5641	2.3809	3.0512	3.0512
C5	1.4634	2.3116	2.3573	2.5875		3.6673	1.0735	1.0784	1.0784	4.3427	3.9898	3.9898
C6	2.3116	1.4634	2.5875	2.3573	3.6673		4.3427	3.9898	3.9898	1.0735	1.0784	1.0784
H7	2.0321	3.1494	2.3809	3.6258	1.0735	4.3427		1.7876	1.7876	5.1551	4.5221	4.5221
H8	2.0801	2.6060	3.0512	2.5641	1.0784	3.9898	1.7876		1.7541	4.5221	4.1997	4.5513
H9	2.0801	2.6060	3.0512	2.5641	1.0784	3.9898	1.7876	1.7541		4.5221	4.5513	4.1997
H10	3.1494	2.0321	3.6258	2.3809	4.3427	1.0735	5.1551	4.5221	4.5221		1.7876	1.7876
H11	2.6060	2.0801	2.5641	3.0512	3.9898	1.0784	4.5221	4.1997	4.5513	1.7876		1.7541
H12	2.6060	2.0801	2.5641	3.0512	3.9898	1.0784	4.5221	4.5513	4.1997	1.7876	1.7541

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O4	121.948	N1	N2	C6	117.739
N1	C5	H7	105.415	N1	C5	H8	108.894
N1	C5	H9	108.894	N2	N1	O3	121.948
N2	N1	C5	117.739	N2	C6	H10	105.415
N2	C6	H11	108.894	N2	C6	H12	108.894
O3	N1	C5	120.313	O4	N2	C6	120.313
H7	C5	H8	112.335	H7	C5	H9	112.335
H8	C5	H9	108.830	H10	C6	H11	112.335
H10	C6	H12	112.335	H11	C6	H12	108.830

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

using model chemistry: HF/aug-cc-pVTZ

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	0.681
2	N	0.681
3	O	-0.957
4	O	-0.957
5	C	-0.861
6	C	-0.861
7	H	0.404
8	H	0.366
9	H	0.366
10	H	0.404
11	H	0.366
12	H	0.366

	x	y	z
x	7.974	-0.726	0.000
y	-0.726	10.087	0.000
z	0.000	0.000	5.443

<r²>	146.460
(<r²>)^1/2	12.102

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

using model chemistry: HF/aug-cc-pVTZ

States and conformations

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