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	hartrees
Energy at 0K	-339.448080
Energy at 298.15K	-339.456694
Nuclear repulsion energy	251.766129

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3151	3127	0.00
2	A_g	3008	2985	0.00
3	A_g	1495	1484	0.00
4	A_g	1429	1418	0.00
5	A_g	1331	1320	0.00
6	A_g	1250	1240	0.00
7	A_g	1049	1041	0.00
8	A_g	702	697	0.00
9	A_g	572	568	0.00
10	A_g	378	375	0.00
11	A_u	3082	3059	13.68
12	A_u	1470	1459	26.04
13	A_u	1116	1108	0.08
14	A_u	285	283	0.84
15	A_u	176	174	15.11
16	A_u	104	103	3.03
17	B_g	3082	3058	0.00
18	B_g	1468	1456	0.00
19	B_g	1087	1079	0.00
20	B_g	433	430	0.00
21	B_g	137	136	0.00
22	B_u	3151	3128	1.39
23	B_u	3009	2986	10.70
24	B_u	1484	1472	13.44
25	B_u	1420	1409	6.88
26	B_u	1245	1236	105.06
27	B_u	1100	1092	61.67
28	B_u	894	887	28.98
29	B_u	503	499	28.76
30	B_u	274	272	24.42

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.679	0.000
N2	0.000	-0.679	0.000
O3	-1.129	1.364	0.000
O4	1.129	-1.364	0.000
C5	1.343	1.329	0.000
C6	-1.343	-1.329	0.000
H7	1.147	2.405	0.000
H8	1.904	1.017	0.893
H9	1.904	1.017	-0.893
H10	-1.147	-2.405	0.000
H11	-1.904	-1.017	0.893
H12	-1.904	-1.017	-0.893

	N1	N2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
N1		1.3572	1.3205	2.3339	1.4923	2.4153	2.0727	2.1303	2.1303	3.2900	2.7014	2.7014
N2	1.3572		2.3339	1.3205	2.4153	1.4923	3.2900	2.7014	2.7014	2.0727	2.1303	2.1303
O3	1.3205	2.3339		3.5411	2.4721	2.7014	2.5026	3.1807	3.1807	3.7691	2.6585	2.6585
O4	2.3339	1.3205	3.5411		2.7014	2.4721	3.7691	2.6585	2.6585	2.5026	3.1807	3.1807
C5	1.4923	2.4153	2.4721	2.7014		3.7787	1.0939	1.1000	1.1000	4.4880	4.1041	4.1041
C6	2.4153	1.4923	2.7014	2.4721	3.7787		4.4880	4.1041	4.1041	1.0939	1.1000	1.1000
H7	2.0727	3.2900	2.5026	3.7691	1.0939	4.4880		1.8161	1.8161	5.3291	4.6707	4.6707
H8	2.1303	2.7014	3.1807	2.6585	1.1000	4.1041	1.8161		1.7865	4.6707	4.3170	4.6721
H9	2.1303	2.7014	3.1807	2.6585	1.1000	4.1041	1.8161	1.7865		4.6707	4.6721	4.3170
H10	3.2900	2.0727	3.7691	2.5026	4.4880	1.0939	5.3291	4.6707	4.6707		1.8161	1.8161
H11	2.7014	2.1303	2.6585	3.1807	4.1041	1.1000	4.6707	4.3170	4.6721	1.8161		1.7865
H12	2.7014	2.1303	2.6585	3.1807	4.1041	1.1000	4.6707	4.6721	4.3170	1.8161	1.7865

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O4	121.278	N1	N2	C6	115.824
N1	C5	H7	105.507	N1	C5	H8	109.597
N1	C5	H9	109.597	N2	N1	O3	121.278
N2	N1	C5	115.824	N2	C6	H10	105.507
N2	C6	H11	109.597	N2	C6	H12	109.597
O3	N1	C5	122.898	O4	N2	C6	122.898
H7	C5	H8	111.747	H7	C5	H9	111.747
H8	C5	H9	108.594	H10	C6	H11	111.747
H10	C6	H12	111.747	H11	C6	H12	108.594

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

using model chemistry: BLYP/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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	N	0.026
2	N	0.026
3	O	-0.364
4	O	-0.364
5	C	-0.195
6	C	-0.195
7	H	0.170
8	H	0.181
9	H	0.181
10	H	0.170
11	H	0.181
12	H	0.181

<r²>	157.811
(<r²>)^1/2	12.562

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

using model chemistry: BLYP/6-31G

States and conformations

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