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	hartrees
Energy at 0K	-339.760810
Energy at 298.15K	-339.769817
Nuclear repulsion energy	259.453770

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3194	3087	0.00
2	A_g	3062	2960	0.00
3	A_g	1555	1503	0.00
4	A_g	1460	1411	0.00
5	A_g	1427	1380	0.00
6	A_g	1389	1343	0.00
7	A_g	1106	1069	0.00
8	A_g	785	759	0.00
9	A_g	621	600	0.00
10	A_g	407	394	0.00
11	A_u	3127	3023	8.61
12	A_u	1466	1417	24.18
13	A_u	1131	1093	0.01
14	A_u	334	323	6.78
15	A_u	185	179	11.80
16	A_u	107	104	3.68
17	B_g	3127	3022	0.00
18	B_g	1464	1415	0.00
19	B_g	1106	1069	0.00
20	B_g	508	491	0.00
21	B_g	145	140	0.00
22	B_u	3194	3088	0.57
23	B_u	3062	2960	10.13
24	B_u	1481	1431	0.55
25	B_u	1428	1381	19.61
26	B_u	1330	1286	333.65
27	B_u	1146	1107	78.48
28	B_u	949	918	36.96
29	B_u	548	530	39.23
30	B_u	297	287	23.13

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.651	0.000
N2	0.000	-0.651	0.000
O3	-1.074	1.318	0.000
O4	1.074	-1.318	0.000
C5	1.319	1.296	0.000
C6	-1.319	-1.296	0.000
H7	1.122	2.360	0.000
H8	1.876	0.983	0.882
H9	1.876	0.983	-0.882
H10	-1.122	-2.360	0.000
H11	-1.876	-0.983	0.882
H12	-1.876	-0.983	-0.882

	N1	N2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
N1		1.3011	1.2642	2.2423	1.4687	2.3513	2.0452	2.0988	2.0988	3.2131	2.6386	2.6386
N2	1.3011		2.2423	1.2642	2.3513	1.4687	3.2131	2.6386	2.6386	2.0452	2.0988	2.0988
O3	1.2642	2.2423		3.4000	2.3931	2.6253	2.4307	3.0963	3.0963	3.6786	2.5911	2.5911
O4	2.2423	1.2642	3.4000		2.6253	2.3931	3.6786	2.5911	2.5911	2.4307	3.0963	3.0963
C5	1.4687	2.3513	2.3931	2.6253		3.6985	1.0826	1.0883	1.0883	4.3964	4.0219	4.0219
C6	2.3513	1.4687	2.6253	2.3931	3.6985		4.3964	4.0219	4.0219	1.0826	1.0883	1.0883
H7	2.0452	3.2131	2.4307	3.6786	1.0826	4.3964		1.8006	1.8006	5.2270	4.5759	4.5759
H8	2.0988	2.6386	3.0963	2.5911	1.0883	4.0219	1.8006		1.7631	4.5759	4.2347	4.5871
H9	2.0988	2.6386	3.0963	2.5911	1.0883	4.0219	1.8006	1.7631		4.5759	4.5871	4.2347
H10	3.2131	2.0452	3.6786	2.4307	4.3964	1.0826	5.2270	4.5759	4.5759		1.8006	1.8006
H11	2.6386	2.0988	2.5911	3.0963	4.0219	1.0883	4.5759	4.2347	4.5871	1.8006		1.7631
H12	2.6386	2.0988	2.5911	3.0963	4.0219	1.0883	4.5759	4.5871	4.2347	1.8006	1.7631

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O4	121.875	N1	N2	C6	116.056
N1	C5	H7	105.570	N1	C5	H8	109.431
N1	C5	H9	109.431	N2	N1	O3	121.875
N2	N1	C5	116.056	N2	C6	H10	105.570
N2	C6	H11	109.431	N2	C6	H12	109.431
O3	N1	C5	122.069	O4	N2	C6	122.069
H7	C5	H8	112.077	H7	C5	H9	112.077
H8	C5	H9	108.199	H10	C6	H11	112.077
H10	C6	H12	112.077	H11	C6	H12	108.199

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

using model chemistry: B3LYP/cc-pVTZ

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	0.199	0.383
2	N	0.199	0.367
3	O	-0.400	-0.492
4	O	-0.400	-0.488
5	C	-0.157	-0.339
6	C	-0.157	-0.327
7	H	0.118	0.159
8	H	0.120	0.147
9	H	0.120	0.147
10	H	0.118	0.156
11	H	0.120	0.144
12	H	0.120	0.144

	x	y	z
x	9.266	0.830	0.002
y	0.830	9.013	-0.001
z	0.002	-0.001	5.090

<r²>	150.322
(<r²>)^1/2	12.261

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

using model chemistry: B3LYP/cc-pVTZ

States and conformations

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