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	hartrees
Energy at 0K	-339.501092
Energy at 298.15K	-339.510110
Nuclear repulsion energy	259.686847

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3237	3097	0.00
2	A_g	3094	2960	0.00
3	A_g	1617	1547	0.00
4	A_g	1481	1417	0.00
5	A_g	1452	1389	0.00
6	A_g	1417	1355	0.00
7	A_g	1115	1067	0.00
8	A_g	806	771	0.00
9	A_g	634	607	0.00
10	A_g	410	392	0.00
11	A_u	3173	3036	5.37
12	A_u	1486	1422	24.02
13	A_u	1138	1088	0.19
14	A_u	335	321	4.66
15	A_u	193	184	12.24
16	A_u	111	106	3.64
17	B_g	3173	3035	0.00
18	B_g	1483	1419	0.00
19	B_g	1108	1060	0.00
20	B_g	503	482	0.00
21	B_g	152	145	0.00
22	B_u	3238	3098	0.52
23	B_u	3094	2960	10.51
24	B_u	1504	1439	2.57
25	B_u	1449	1386	88.78
26	B_u	1395	1335	255.06
27	B_u	1168	1118	29.80
28	B_u	972	930	33.49
29	B_u	552	528	37.35
30	B_u	298	285	25.24

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.653	0.000
N2	0.000	-0.653	0.000
O3	-1.071	1.319	0.000
O4	1.071	-1.319	0.000
C5	1.323	1.280	0.000
C6	-1.323	-1.280	0.000
H7	1.137	2.352	0.000
H8	1.878	0.963	0.886
H9	1.878	0.963	-0.886
H10	-1.137	-2.352	0.000
H11	-1.878	-0.963	0.886
H12	-1.878	-0.963	-0.886

	N1	N2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
N1		1.3056	1.2618	2.2444	1.4642	2.3425	2.0446	2.0999	2.0999	3.2128	2.6314	2.6314
N2	1.3056		2.2444	1.2618	2.3425	1.4642	3.2128	2.6314	2.6314	2.0446	2.0999	2.0999
O3	1.2618	2.2444		3.3992	2.3947	2.6118	2.4381	3.1006	3.1006	3.6719	2.5779	2.5779
O4	2.2444	1.2618	3.3992		2.6118	2.3947	3.6719	2.5779	2.5779	2.4381	3.1006	3.1006
C5	1.4642	2.3425	2.3947	2.6118		3.6821	1.0875	1.0930	1.0930	4.3871	4.0083	4.0083
C6	2.3425	1.4642	2.6118	2.3947	3.6821		4.3871	4.0083	4.0083	1.0875	1.0930	1.0930
H7	2.0446	3.2128	2.4381	3.6719	1.0875	4.3871		1.8066	1.8066	5.2249	4.5681	4.5681
H8	2.0999	2.6314	3.1006	2.5779	1.0930	4.0083	1.8066		1.7724	4.5681	4.2216	4.5786
H9	2.0999	2.6314	3.1006	2.5779	1.0930	4.0083	1.8066	1.7724		4.5681	4.5786	4.2216
H10	3.2128	2.0446	3.6719	2.4381	4.3871	1.0875	5.2249	4.5681	4.5681		1.8066	1.8066
H11	2.6314	2.0999	2.5779	3.1006	4.0083	1.0930	4.5681	4.2216	4.5786	1.8066		1.7724
H12	2.6314	2.0999	2.5779	3.1006	4.0083	1.0930	4.5681	4.5786	4.2216	1.8066	1.7724

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O4	121.881	N1	N2	C6	115.381
N1	C5	H7	105.547	N1	C5	H8	109.552
N1	C5	H9	109.552	N2	N1	O3	121.881
N2	N1	C5	115.381	N2	C6	H10	105.547
N2	C6	H11	109.552	N2	C6	H12	109.552
O3	N1	C5	122.738	O4	N2	C6	122.738
H7	C5	H8	111.895	H7	C5	H9	111.895
H8	C5	H9	108.351	H10	C6	H11	111.895
H10	C6	H12	111.895	H11	C6	H12	108.351

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

using model chemistry: B3PW91/6-31G*

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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Number	Element	Mulliken	ESP
1	N	0.208	0.358
2	N	0.208	0.350
3	O	-0.499	-0.461
4	O	-0.499	-0.458
5	C	-0.377	-0.395
6	C	-0.377	-0.395
7	H	0.221	0.176
8	H	0.224	0.162
9	H	0.224	0.162
10	H	0.221	0.176
11	H	0.224	0.163
12	H	0.224	0.163

<r²>	149.389
(<r²>)^1/2	12.222

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

using model chemistry: B3PW91/6-31G*

States and conformations

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