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	hartrees
Energy at 0K	-337.487518
Energy at 298.15K	-337.496842
Nuclear repulsion energy	259.181029

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3406	3075	0.00
2	A_g	3255	2939	0.00
3	A_g	1801	1627	0.00
4	A_g	1632	1474	0.00
5	A_g	1585	1431	0.00
6	A_g	1481	1337	0.00
7	A_g	1202	1085	0.00
8	A_g	790	713	0.00
9	A_g	650	587	0.00
10	A_g	432	390	0.00
11	A_u	3342	3018	2.34
12	A_u	1630	1472	32.66
13	A_u	1274	1150	0.00
14	A_u	373	336	4.08
15	A_u	213	192	30.43
16	A_u	128	116	2.48
17	B_g	3341	3017	0.00
18	B_g	1628	1470	0.00
19	B_g	1256	1134	0.00
20	B_g	662	597	0.00
21	B_g	152	137	0.00
22	B_u	3406	3075	2.23
23	B_u	3254	2938	8.37
24	B_u	1627	1469	18.04
25	B_u	1598	1443	2.94
26	B_u	1343	1213	28.17
27	B_u	1106	998	132.27
28	B_u	905	817	365.69
29	B_u	536	484	67.92
30	B_u	325	293	27.39

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.620	0.000
N2	0.000	-0.620	0.000
O3	-1.122	1.300	0.000
O4	1.122	-1.300	0.000
C5	1.284	1.328	0.000
C6	-1.284	-1.328	0.000
H7	1.037	2.371	0.000
H8	1.844	1.044	0.877
H9	1.844	1.044	-0.877
H10	-1.037	-2.371	0.000
H11	-1.844	-1.044	0.877
H12	-1.844	-1.044	-0.877

	N1	N2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
N1		1.2397	1.3120	2.2238	1.4661	2.3326	2.0351	2.0855	2.0855	3.1656	2.6340	2.6340
N2	1.2397		2.2238	1.3120	2.3326	1.4661	3.1656	2.6340	2.6340	2.0351	2.0855	2.0855
O3	1.3120	2.2238		3.4346	2.4060	2.6328	2.4097	3.1034	3.1034	3.6722	2.6049	2.6049
O4	2.2238	1.3120	3.4346		2.6328	2.4060	3.6722	2.6049	2.6049	2.4097	3.1034	3.1034
C5	1.4661	2.3326	2.4060	2.6328		3.6938	1.0724	1.0783	1.0783	4.3665	4.0222	4.0222
C6	2.3326	1.4661	2.6328	2.4060	3.6938		4.3665	4.0222	4.0222	1.0724	1.0783	1.0783
H7	2.0351	3.1656	2.4097	3.6722	1.0724	4.3665		1.7836	1.7836	5.1757	4.5531	4.5531
H8	2.0855	2.6340	3.1034	2.6049	1.0783	4.0222	1.7836		1.7533	4.5531	4.2383	4.5866
H9	2.0855	2.6340	3.1034	2.6049	1.0783	4.0222	1.7836	1.7533		4.5531	4.5866	4.2383
H10	3.1656	2.0351	3.6722	2.4097	4.3665	1.0724	5.1757	4.5531	4.5531		1.7836	1.7836
H11	2.6340	2.0855	2.6049	3.1034	4.0222	1.0783	4.5531	4.2383	4.5866	1.7836		1.7533
H12	2.6340	2.0855	2.6049	3.1034	4.0222	1.0783	4.5531	4.5866	4.2383	1.7836	1.7533

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O4	121.233	N1	N2	C6	118.863
N1	C5	H7	105.538	N1	C5	H8	109.148
N1	C5	H9	109.148	N2	N1	O3	121.233
N2	N1	C5	118.863	N2	C6	H10	105.538
N2	C6	H11	109.148	N2	C6	H12	109.148
O3	N1	C5	119.904	O4	N2	C6	119.904
H7	C5	H8	112.063	H7	C5	H9	112.063
H8	C5	H9	108.781	H10	C6	H11	112.063
H10	C6	H12	112.063	H11	C6	H12	108.781

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

using model chemistry: HF/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	CHELPG
1	N	0.033	-0.616
2	N	0.033	0.398
3	O	-0.528	-0.616
4	O	-0.528	0.399
5	C	-0.197	0.120
6	C	-0.197	0.126
7	H	0.228	0.120
8	H	0.232	-0.148
9	H	0.232	0.120
10	H	0.228	0.126
11	H	0.232	0.120
12	H	0.232	-0.148

	x	y	z
x	6.591	-1.011	0.000
y	-1.011	8.768	0.000
z	0.000	0.000	3.709

<r²>	150.727
(<r²>)^1/2	12.277

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

using model chemistry: HF/6-31G

States and conformations

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