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	hartrees
Energy at 0K	-339.556821
Energy at 298.15K	-339.565476
Nuclear repulsion energy	255.193631

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3135	3111	0.00
2	A_g	3000	2977	0.00
3	A_g	1494	1483	0.00
4	A_g	1418	1407	0.00
5	A_g	1381	1370	0.00
6	A_g	1284	1274	0.00
7	A_g	1062	1054	0.00
8	A_g	732	726	0.00
9	A_g	588	583	0.00
10	A_g	386	383	0.00
11	A_u	3070	3046	11.70
12	A_u	1438	1427	18.07
13	A_u	1094	1085	0.04
14	A_u	301	299	3.60
15	A_u	177	176	11.15
16	A_u	93	93	2.39
17	B_g	3069	3046	0.00
18	B_g	1435	1424	0.00
19	B_g	1062	1054	0.00
20	B_g	425	422	0.00
21	B_g	132	131	0.00
22	B_u	3136	3112	1.65
23	B_u	3000	2977	14.00
24	B_u	1455	1444	2.52
25	B_u	1390	1380	27.41
26	B_u	1315	1305	208.66
27	B_u	1108	1100	36.32
28	B_u	904	897	22.87
29	B_u	520	516	31.77
30	B_u	281	279	23.07

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.672	0.000
N2	0.000	-0.672	0.000
O3	-1.089	1.348	0.000
O4	1.089	-1.348	0.000
C5	1.347	1.302	0.000
C6	-1.347	-1.302	0.000
H7	1.163	2.380	0.000
H8	1.904	0.981	0.891
H9	1.904	0.981	-0.891
H10	-1.163	-2.380	0.000
H11	-1.904	-0.981	0.891
H12	-1.904	-0.981	-0.891

	N1	N2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
N1		1.3440	1.2821	2.2952	1.4873	2.3901	2.0667	2.1250	2.1250	3.2664	2.6743	2.6743
N2	1.3440		2.2952	1.2821	2.3901	1.4873	3.2664	2.6743	2.6743	2.0667	2.1250	2.1250
O3	1.2821	2.2952		3.4665	2.4368	2.6630	2.4776	3.1448	3.1448	3.7293	2.6235	2.6235
O4	2.2952	1.2821	3.4665		2.6630	2.4368	3.7293	2.6235	2.6235	2.4776	3.1448	3.1448
C5	1.4873	2.3901	2.4368	2.6630		3.7474	1.0936	1.0991	1.0991	4.4568	4.0716	4.0716
C6	2.3901	1.4873	2.6630	2.4368	3.7474		4.4568	4.0716	4.0716	1.0936	1.0991	1.0991
H7	2.0667	3.2664	2.4776	3.7293	1.0936	4.4568		1.8172	1.8172	5.2986	4.6368	4.6368
H8	2.1250	2.6743	3.1448	2.6235	1.0991	4.0716	1.8172		1.7826	4.6368	4.2838	4.6399
H9	2.1250	2.6743	3.1448	2.6235	1.0991	4.0716	1.8172	1.7826		4.6368	4.6399	4.2838
H10	3.2664	2.0667	3.7293	2.4776	4.4568	1.0936	5.2986	4.6368	4.6368		1.8172	1.8172
H11	2.6743	2.1250	2.6235	3.1448	4.0716	1.0991	4.6368	4.2838	4.6399	1.8172		1.7826
H12	2.6743	2.1250	2.6235	3.1448	4.0716	1.0991	4.6368	4.6399	4.2838	1.8172	1.7826

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O4	121.834	N1	N2	C6	115.072
N1	C5	H7	105.389	N1	C5	H8	109.577
N1	C5	H9	109.577	N2	N1	O3	121.834
N2	N1	C5	115.072	N2	C6	H10	105.389
N2	C6	H11	109.577	N2	C6	H12	109.577
O3	N1	C5	123.094	O4	N2	C6	123.094
H7	C5	H8	111.939	H7	C5	H9	111.939
H8	C5	H9	108.370	H10	C6	H11	111.939
H10	C6	H12	111.939	H11	C6	H12	108.370

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	0.183
2	N	0.183
3	O	-0.461
4	O	-0.461
5	C	-0.150
6	C	-0.150
7	H	0.138
8	H	0.145
9	H	0.145
10	H	0.138
11	H	0.145
12	H	0.145

<r²>	154.114
(<r²>)^1/2	12.414

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)