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	hartrees
Energy at 0K	-339.580168
Energy at 298.15K	-339.588827
Nuclear repulsion energy	254.817182

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3132	3116	0.00
2	A_g	2996	2980	0.00
3	A_g	1477	1469	0.00
4	A_g	1406	1398	0.00
5	A_g	1375	1368	0.00
6	A_g	1287	1280	0.00
7	A_g	1062	1057	0.00
8	A_g	731	727	0.00
9	A_g	582	579	0.00
10	A_g	386	384	0.00
11	A_u	3066	3050	10.63
12	A_u	1430	1423	25.08
13	A_u	1092	1086	0.00
14	A_u	298	297	3.80
15	A_u	171	170	11.67
16	A_u	96	96	4.69
17	B_g	3066	3050	0.00
18	B_g	1428	1420	0.00
19	B_g	1063	1058	0.00
20	B_g	437	434	0.00
21	B_g	135	135	0.00
22	B_u	3133	3116	0.49
23	B_u	2996	2981	13.90
24	B_u	1444	1436	2.71
25	B_u	1389	1381	14.13
26	B_u	1284	1277	310.10
27	B_u	1103	1097	68.05
28	B_u	902	897	25.99
29	B_u	520	517	30.28
30	B_u	279	277	22.79

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.670	0.000
N2	0.000	-0.670	0.000
O3	-1.097	1.344	0.000
O4	1.097	-1.344	0.000
C5	1.338	1.321	0.000
C6	-1.338	-1.321	0.000
H7	1.138	2.397	0.000
H8	1.897	1.006	0.893
H9	1.897	1.006	-0.893
H10	-1.138	-2.397	0.000
H11	-1.897	-1.006	0.893
H12	-1.897	-1.006	-0.893

	N1	N2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
N1		1.3395	1.2880	2.2932	1.4878	2.3985	2.0678	2.1235	2.1235	3.2705	2.6840	2.6840
N2	1.3395		2.2932	1.2880	2.3985	1.4878	3.2705	2.6840	2.6840	2.0678	2.1235	2.1235
O3	1.2880	2.2932		3.4701	2.4352	2.6758	2.4705	3.1431	3.1431	3.7406	2.6378	2.6378
O4	2.2932	1.2880	3.4701		2.6758	2.4352	3.7406	2.6378	2.6378	2.4705	3.1431	3.1431
C5	1.4878	2.3985	2.4352	2.6758		3.7602	1.0938	1.0996	1.0996	4.4663	4.0837	4.0837
C6	2.3985	1.4878	2.6758	2.4352	3.7602		4.4663	4.0837	4.0837	1.0938	1.0996	1.0996
H7	2.0678	3.2705	2.4705	3.7406	1.0938	4.4663		1.8186	1.8186	5.3056	4.6458	4.6458
H8	2.1235	2.6840	3.1431	2.6378	1.0996	4.0837	1.8186		1.7852	4.6458	4.2948	4.6510
H9	2.1235	2.6840	3.1431	2.6378	1.0996	4.0837	1.8186	1.7852		4.6458	4.6510	4.2948
H10	3.2705	2.0678	3.7406	2.4705	4.4663	1.0938	5.3056	4.6458	4.6458		1.8186	1.8186
H11	2.6840	2.1235	2.6378	3.1431	4.0837	1.0996	4.6458	4.2948	4.6510	1.8186		1.7852
H12	2.6840	2.1235	2.6378	3.1431	4.0837	1.0996	4.6458	4.6510	4.2948	1.8186	1.7852

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O4	121.561	N1	N2	C6	115.966
N1	C5	H7	105.423	N1	C5	H8	109.389
N1	C5	H9	109.389	N2	N1	O3	121.561
N2	N1	C5	115.966	N2	C6	H10	105.423
N2	C6	H11	109.389	N2	C6	H12	109.389
O3	N1	C5	122.473	O4	N2	C6	122.473
H7	C5	H8	112.019	H7	C5	H9	112.019
H8	C5	H9	108.531	H10	C6	H11	112.019
H10	C6	H12	112.019	H11	C6	H12	108.531

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

using model chemistry: BLYP/6-31+G**

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	-0.056
2	N	-0.056
3	O	-0.178
4	O	-0.178
5	C	-0.317
6	C	-0.317
7	H	0.183
8	H	0.184
9	H	0.184
10	H	0.183
11	H	0.184
12	H	0.184

<r²>	155.515
(<r²>)^1/2	12.471

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

using model chemistry: BLYP/6-31+G**

States and conformations

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