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	hartrees
Energy at 0K	-339.508742
Energy at 298.15K	-339.517724
Nuclear repulsion energy	259.742181

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3231	3097	0.00
2	A_g	3084	2956	0.00
3	A_g	1615	1548	0.00
4	A_g	1466	1405	0.00
5	A_g	1448	1388	0.00
6	A_g	1405	1346	0.00
7	A_g	1106	1060	0.00
8	A_g	805	771	0.00
9	A_g	634	608	0.00
10	A_g	408	391	0.00
11	A_u	3166	3035	4.97
12	A_u	1469	1408	24.31
13	A_u	1128	1081	0.21
14	A_u	334	320	4.68
15	A_u	191	183	13.33
16	A_u	101	97	2.64
17	B_g	3166	3034	0.00
18	B_g	1466	1405	0.00
19	B_g	1099	1053	0.00
20	B_g	503	482	0.00
21	B_g	140	134	0.00
22	B_u	3232	3097	0.41
23	B_u	3085	2956	10.56
24	B_u	1490	1428	8.67
25	B_u	1436	1376	118.21
26	B_u	1388	1330	219.95
27	B_u	1162	1114	26.25
28	B_u	967	927	34.04
29	B_u	550	528	37.99
30	B_u	296	284	25.28

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.653	0.000
N2	0.000	-0.653	0.000
O3	-1.072	1.319	0.000
O4	1.072	-1.319	0.000
C5	1.323	1.280	0.000
C6	-1.323	-1.280	0.000
H7	1.138	2.351	0.000
H8	1.878	0.961	0.885
H9	1.878	0.961	-0.885
H10	-1.138	-2.351	0.000
H11	-1.878	-0.961	0.885
H12	-1.878	-0.961	-0.885

	N1	N2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
N1		1.3054	1.2619	2.2441	1.4639	2.3420	2.0441	2.0989	2.0989	3.2119	2.6296	2.6296
N2	1.3054		2.2441	1.2619	2.3420	1.4639	3.2119	2.6296	2.6296	2.0441	2.0989	2.0989
O3	1.2619	2.2441		3.3989	2.3947	2.6111	2.4385	3.1003	3.1003	3.6705	2.5753	2.5753
O4	2.2441	1.2619	3.3989		2.6111	2.3947	3.6705	2.5753	2.5753	2.4385	3.1003	3.1003
C5	1.4639	2.3420	2.3947	2.6111		3.6813	1.0868	1.0923	1.0923	4.3860	4.0063	4.0063
C6	2.3420	1.4639	2.6111	2.3947	3.6813		4.3860	4.0063	4.0063	1.0868	1.0923	1.0923
H7	2.0441	3.2119	2.4385	3.6705	1.0868	4.3860		1.8063	1.8063	5.2235	4.5659	4.5659
H8	2.0989	2.6296	3.1003	2.5753	1.0923	4.0063	1.8063		1.7697	4.5659	4.2194	4.5755
H9	2.0989	2.6296	3.1003	2.5753	1.0923	4.0063	1.8063	1.7697		4.5659	4.5755	4.2194
H10	3.2119	2.0441	3.6705	2.4385	4.3860	1.0868	5.2235	4.5659	4.5659		1.8063	1.8063
H11	2.6296	2.0989	2.5753	3.1003	4.0063	1.0923	4.5659	4.2194	4.5755	1.8063		1.7697
H12	2.6296	2.0989	2.5753	3.1003	4.0063	1.0923	4.5659	4.5755	4.2194	1.8063	1.7697

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O4	121.868	N1	N2	C6	115.373
N1	C5	H7	105.571	N1	C5	H8	109.530
N1	C5	H9	109.530	N2	N1	O3	121.868
N2	N1	C5	115.373	N2	C6	H10	105.571
N2	C6	H11	109.530	N2	C6	H12	109.530
O3	N1	C5	122.759	O4	N2	C6	122.759
H7	C5	H8	111.976	H7	C5	H9	111.976
H8	C5	H9	108.213	H10	C6	H11	111.976
H10	C6	H12	111.976	H11	C6	H12	108.213

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

using model chemistry: B3PW91/6-31G**

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	0.194
2	N	0.194
3	O	-0.502
4	O	-0.502
5	C	-0.240
6	C	-0.240
7	H	0.179
8	H	0.184
9	H	0.184
10	H	0.179
11	H	0.184
12	H	0.184

<r²>	149.311
(<r²>)^1/2	12.219

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

using model chemistry: B3PW91/6-31G**

States and conformations

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