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	hartrees
Energy at 0K	-337.732999
Energy at 298.15K	-337.742511
Nuclear repulsion energy	263.617687

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3385	3062	0.00
2	A_g	3248	2938	0.00
3	A_g	1842	1666	0.00
4	A_g	1640	1483	0.00
5	A_g	1593	1441	0.00
6	A_g	1560	1411	0.00
7	A_g	1224	1107	0.00
8	A_g	875	792	0.00
9	A_g	683	618	0.00
10	A_g	453	409	0.00
11	A_u	3328	3010	15.08
12	A_u	1609	1455	21.88
13	A_u	1258	1137	0.10
14	A_u	401	363	12.39
15	A_u	210	190	19.41
16	A_u	131	118	3.35
17	B_g	3327	3009	0.00
18	B_g	1607	1453	0.00
19	B_g	1239	1121	0.00
20	B_g	644	582	0.00
21	B_g	163	147	0.00
22	B_u	3385	3062	2.04
23	B_u	3248	2937	18.69
24	B_u	1611	1457	2.62
25	B_u	1571	1420	1.73
26	B_u	1378	1246	292.58
27	B_u	1182	1069	456.63
28	B_u	1031	933	209.46
29	B_u	590	533	71.58
30	B_u	335	303	26.26

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.619	0.000
N2	0.000	-0.619	0.000
O3	-1.061	1.282	0.000
O4	1.061	-1.282	0.000
C5	1.299	1.294	0.000
C6	-1.299	-1.294	0.000
H7	1.075	2.344	0.000
H8	1.851	0.994	0.878
H9	1.851	0.994	-0.878
H10	-1.075	-2.344	0.000
H11	-1.851	-0.994	0.878
H12	-1.851	-0.994	-0.878

	N1	N2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
N1		1.2382	1.2512	2.1775	1.4642	2.3126	2.0327	2.0828	2.0828	3.1524	2.6078	2.6078
N2	1.2382		2.1775	1.2512	2.3126	1.4642	3.1524	2.6078	2.6078	2.0327	2.0828	2.0828
O3	1.2512	2.1775		3.3288	2.3604	2.5874	2.3853	3.0550	3.0550	3.6268	2.5650	2.5650
O4	2.1775	1.2512	3.3288		2.5874	2.3604	3.6268	2.5650	2.5650	2.3853	3.0550	3.0550
C5	1.4642	2.3126	2.3604	2.5874		3.6676	1.0741	1.0791	1.0791	4.3445	3.9917	3.9917
C6	2.3126	1.4642	2.5874	2.3604	3.6676		4.3445	3.9917	3.9917	1.0741	1.0791	1.0791
H7	2.0327	3.1524	2.3853	3.6268	1.0741	4.3445		1.7874	1.7874	5.1581	4.5255	4.5255
H8	2.0828	2.6078	3.0550	2.5650	1.0791	3.9917	1.7874		1.7555	4.5255	4.2027	4.5546
H9	2.0828	2.6078	3.0550	2.5650	1.0791	3.9917	1.7874	1.7555		4.5255	4.5546	4.2027
H10	3.1524	2.0327	3.6268	2.3853	4.3445	1.0741	5.1581	4.5255	4.5255		1.7874	1.7874
H11	2.6078	2.0828	2.5650	3.0550	3.9917	1.0791	4.5255	4.2027	4.5546	1.7874		1.7555
H12	2.6078	2.0828	2.5650	3.0550	3.9917	1.0791	4.5255	4.5546	4.2027	1.7874	1.7555

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O4	122.016	N1	N2	C6	117.442
N1	C5	H7	105.383	N1	C5	H8	109.018
N1	C5	H9	109.018	N2	N1	O3	122.016
N2	N1	C5	117.442	N2	C6	H10	105.383
N2	C6	H11	109.018	N2	C6	H12	109.018
O3	N1	C5	120.542	O4	N2	C6	120.542
H7	C5	H8	112.220	H7	C5	H9	112.220
H8	C5	H9	108.860	H10	C6	H11	112.220
H10	C6	H12	112.220	H11	C6	H12	108.860

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

using model chemistry: HF/6-311G*

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	CHELPG	ESP
1	N	0.195	-0.607	0.443
2	N	0.195	0.428	0.463
3	O	-0.546	-0.606	-0.598
4	O	-0.546	0.428	-0.604
5	C	-0.437	0.113	-0.347
6	C	-0.437	0.125	-0.337
7	H	0.260	0.113	0.174
8	H	0.263	-0.172	0.161
9	H	0.263	0.113	0.161
10	H	0.260	0.125	0.170
11	H	0.263	0.113	0.157
12	H	0.263	-0.172	0.157

	x	y	z
x	6.708	-0.655	0.000
y	-0.655	9.005	0.000
z	0.000	0.000	4.159

<r²>	146.555
(<r²>)^1/2	12.106

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

using model chemistry: HF/6-311G*

States and conformations

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