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	hartrees
Energy at 0K	-337.711942
Energy at 298.15K	-337.721467
Nuclear repulsion energy	263.033399

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3371	3070	0.00
2	A_g	3229	2940	0.00
3	A_g	1846	1681	0.00
4	A_g	1629	1484	0.00
5	A_g	1559	1419	0.00
6	A_g	1531	1394	0.00
7	A_g	1205	1097	0.00
8	A_g	870	793	0.00
9	A_g	677	617	0.00
10	A_g	447	407	0.00
11	A_u	3316	3019	8.09
12	A_u	1574	1434	25.31
13	A_u	1234	1124	0.06
14	A_u	400	364	12.23
15	A_u	208	189	17.58
16	A_u	136	124	4.56
17	B_g	3315	3019	0.00
18	B_g	1572	1432	0.00
19	B_g	1222	1113	0.00
20	B_g	642	585	0.00
21	B_g	170	155	0.00
22	B_u	3371	3070	1.84
23	B_u	3229	2940	16.74
24	B_u	1574	1433	1.03
25	B_u	1538	1401	4.35
26	B_u	1362	1241	355.76
27	B_u	1185	1079	421.73
28	B_u	1023	932	188.62
29	B_u	581	529	71.78
30	B_u	332	302	27.37

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.619	0.000
N2	0.000	-0.619	0.000
O3	-1.067	1.281	0.000
O4	1.067	-1.281	0.000
C5	1.298	1.300	0.000
C6	-1.298	-1.300	0.000
H7	1.068	2.355	0.000
H8	1.852	0.996	0.883
H9	1.852	0.996	-0.883
H10	-1.068	-2.355	0.000
H11	-1.852	-0.996	0.883
H12	-1.852	-0.996	-0.883

	N1	N2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
N1		1.2389	1.2558	2.1798	1.4659	2.3173	2.0381	2.0859	2.0859	3.1607	2.6115	2.6115
N2	1.2389		2.1798	1.2558	2.3173	1.4659	3.1607	2.6115	2.6115	2.0381	2.0859	2.0859
O3	1.2558	2.1798		3.3351	2.3658	2.5914	2.3902	3.0632	3.0632	3.6366	2.5655	2.5655
O4	2.1798	1.2558	3.3351		2.5914	2.3658	3.6366	2.5655	2.5655	2.3902	3.0632	3.0632
C5	1.4659	2.3173	2.3658	2.5914		3.6745	1.0804	1.0854	1.0854	4.3544	3.9971	3.9971
C6	2.3173	1.4659	2.5914	2.3658	3.6745		4.3544	3.9971	3.9971	1.0804	1.0854	1.0854
H7	2.0381	3.1607	2.3902	3.6366	1.0804	4.3544		1.8004	1.8004	5.1723	4.5320	4.5320
H8	2.0859	2.6115	3.0632	2.5655	1.0854	3.9971	1.8004		1.7657	4.5320	4.2059	4.5615
H9	2.0859	2.6115	3.0632	2.5655	1.0854	3.9971	1.8004	1.7657		4.5320	4.5615	4.2059
H10	3.1607	2.0381	3.6366	2.3902	4.3544	1.0804	5.1723	4.5320	4.5320		1.8004	1.8004
H11	2.6115	2.0859	2.5655	3.0632	3.9971	1.0854	4.5320	4.2059	4.5615	1.8004		1.7657
H12	2.6115	2.0859	2.5655	3.0632	3.9971	1.0854	4.5320	4.5615	4.2059	1.8004	1.7657

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O4	121.797	N1	N2	C6	117.660
N1	C5	H7	105.341	N1	C5	H8	108.779
N1	C5	H9	108.779	N2	N1	O3	121.797
N2	N1	C5	117.660	N2	C6	H10	105.341
N2	C6	H11	108.779	N2	C6	H12	108.779
O3	N1	C5	120.543	O4	N2	C6	120.543
H7	C5	H8	112.464	H7	C5	H9	112.464
H8	C5	H9	108.855	H10	C6	H11	112.464
H10	C6	H12	112.464	H11	C6	H12	108.855

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

using model chemistry: HF/aug-cc-pVDZ

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	0.293
2	N	0.293
3	O	-1.025
4	O	-1.025
5	C	0.923
6	C	0.923
7	H	-0.160
8	H	-0.016
9	H	-0.016
10	H	-0.160
11	H	-0.016
12	H	-0.016

<r²>	147.203
(<r²>)^1/2	12.133

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

using model chemistry: HF/aug-cc-pVDZ

States and conformations

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