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	hartrees
Energy at 0K	-337.658696
Energy at 298.15K	-337.667135
Nuclear repulsion energy	250.198444

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3138	3121	0.00
2	A_g	3009	2992	0.00
3	A_g	1517	1509	0.00
4	A_g	1406	1398	0.00
5	A_g	1294	1287	0.00
6	A_g	1189	1183	0.00
7	A_g	1005	999	0.00
8	A_g	661	658	0.00
9	A_g	558	555	0.00
10	A_g	356	354	0.00
11	A_u	3071	3054	13.37
12	A_u	1493	1485	23.92
13	A_u	1108	1101	0.24
14	A_u	255	254	1.42
15	A_u	183	182	12.08
16	A_u	110	109	1.99
17	B_g	3070	3053	0.00
18	B_g	1490	1482	0.00
19	B_g	1076	1070	0.00
20	B_g	377	375	0.00
21	B_g	141	140	0.00
22	B_u	3139	3121	2.55
23	B_u	3009	2992	10.50
24	B_u	1507	1498	18.94
25	B_u	1402	1394	9.36
26	B_u	1215	1208	62.39
27	B_u	1072	1066	40.25
28	B_u	854	849	26.60
29	B_u	455	453	25.43
30	B_u	275	273	25.91

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.690	0.000
N2	0.000	-0.690	0.000
O3	-1.145	1.380	0.000
O4	1.145	-1.380	0.000
C5	1.379	1.283	0.000
C6	-1.379	-1.283	0.000
H7	1.223	2.365	0.000
H8	1.918	0.938	0.894
H9	1.918	0.938	-0.894
H10	-1.223	-2.365	0.000
H11	-1.918	-0.938	0.894
H12	-1.918	-0.938	-0.894

	N1	N2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
N1		1.3797	1.3371	2.3655	1.5013	2.4072	2.0744	2.1304	2.1304	3.2909	2.6697	2.6697
N2	1.3797		2.3655	1.3371	2.4072	1.5013	3.2909	2.6697	2.6697	2.0744	2.1304	2.1304
O3	1.3371	2.3655		3.5866	2.5262	2.6733	2.5650	3.2212	3.2212	3.7461	2.6019	2.6019
O4	2.3655	1.3371	3.5866		2.6733	2.5262	3.7461	2.6019	2.6019	2.5650	3.2212	3.2212
C5	1.5013	2.4072	2.5262	2.6733		3.7674	1.0934	1.0990	1.0990	4.4813	4.0747	4.0747
C6	2.4072	1.5013	2.6733	2.5262	3.7674		4.4813	4.0747	4.0747	1.0934	1.0990	1.0990
H7	2.0744	3.2909	2.5650	3.7461	1.0934	4.4813		1.8215	1.8215	5.3256	4.6451	4.6451
H8	2.1304	2.6697	3.2212	2.6019	1.0990	4.0747	1.8215		1.7874	4.6451	4.2701	4.6291
H9	2.1304	2.6697	3.2212	2.6019	1.0990	4.0747	1.8215	1.7874		4.6451	4.6291	4.2701
H10	3.2909	2.0744	3.7461	2.5650	4.4813	1.0934	5.3256	4.6451	4.6451		1.8215	1.8215
H11	2.6697	2.1304	2.6019	3.2212	4.0747	1.0990	4.6451	4.2701	4.6291	1.8215		1.7874
H12	2.6697	2.1304	2.6019	3.2212	4.0747	1.0990	4.6451	4.6291	4.2701	1.8215	1.7874

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O4	121.075	N1	N2	C6	113.274
N1	C5	H7	105.067	N1	C5	H8	109.045
N1	C5	H9	109.045	N2	N1	O3	121.075
N2	N1	C5	113.274	N2	C6	H10	105.067
N2	C6	H11	109.045	N2	C6	H12	109.045
O3	N1	C5	125.652	O4	N2	C6	125.652
H7	C5	H8	112.367	H7	C5	H9	112.367
H8	C5	H9	108.817	H10	C6	H11	112.367
H10	C6	H12	112.367	H11	C6	H12	108.817

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

using model chemistry: BLYP/3-21G

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	0.004
2	N	0.004
3	O	-0.323
4	O	-0.323
5	C	-0.359
6	C	-0.359
7	H	0.219
8	H	0.230
9	H	0.230
10	H	0.219
11	H	0.230
12	H	0.230

<r²>	158.196
(<r²>)^1/2	12.578

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

using model chemistry: BLYP/3-21G

States and conformations

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