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	hartrees
Energy at 0K	-66.544723
Energy at 298.15K	-66.553579
Nuclear repulsion energy	143.498776

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3196	3098	0.00
2	A_g	3056	2963	0.00
3	A_g	1553	1506	0.00
4	A_g	1462	1418	0.00
5	A_g	1423	1380	0.00
6	A_g	1389	1346	0.00
7	A_g	1102	1069	0.00
8	A_g	770	746	0.00
9	A_g	603	585	0.00
10	A_g	393	381	0.00
11	A_u	3133	3037	19.04
12	A_u	1470	1425	21.99
13	A_u	1129	1095	0.04
14	A_u	316	306	5.90
15	A_u	179	174	12.03
16	A_u	108	104	4.01
17	B_g	3133	3037	0.00
18	B_g	1467	1422	0.00
19	B_g	1101	1067	0.00
20	B_g	479	464	0.00
21	B_g	142	138	0.00
22	B_u	3197	3099	2.51
23	B_u	3056	2963	16.59
24	B_u	1485	1439	1.42
25	B_u	1429	1385	11.25
26	B_u	1322	1282	308.11
27	B_u	1135	1100	84.83
28	B_u	942	913	36.12
29	B_u	527	511	39.56
30	B_u	286	278	23.48

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.659	0.000
N2	0.000	-0.659	0.000
O3	-1.096	1.332	0.000
O4	1.096	-1.332	0.000
C5	1.331	1.315	0.000
C6	-1.331	-1.315	0.000
H7	1.127	2.384	0.000
H8	1.889	1.002	0.888
H9	1.889	1.002	-0.888
H10	-1.127	-2.384	0.000
H11	-1.889	-1.002	0.888
H12	-1.889	-1.002	-0.888

	N1	N2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
N1		1.3172	1.2860	2.2720	1.4840	2.3803	2.0612	2.1152	2.1152	3.2450	2.6671	2.6671
N2	1.3172		2.2720	1.2860	2.3803	1.4840	3.2450	2.6671	2.6671	2.0612	2.1152	2.1152
O3	1.2860	2.2720		3.4492	2.4270	2.6568	2.4595	3.1314	3.1314	3.7162	2.6196	2.6196
O4	2.2720	1.2860	3.4492		2.6568	2.4270	3.7162	2.6196	2.6196	2.4595	3.1314	3.1314
C5	1.4840	2.3803	2.4270	2.6568		3.7418	1.0890	1.0944	1.0944	4.4413	4.0648	4.0648
C6	2.3803	1.4840	2.6568	2.4270	3.7418		4.4413	4.0648	4.0648	1.0890	1.0944	1.0944
H7	2.0612	3.2450	2.4595	3.7162	1.0890	4.4413		1.8113	1.8113	5.2746	4.6206	4.6206
H8	2.1152	2.6671	3.1314	2.6196	1.0944	4.0648	1.8113		1.7762	4.6206	4.2761	4.6303
H9	2.1152	2.6671	3.1314	2.6196	1.0944	4.0648	1.8113	1.7762		4.6206	4.6303	4.2761
H10	3.2450	2.0612	3.7162	2.4595	4.4413	1.0890	5.2746	4.6206	4.6206		1.8113	1.8113
H11	2.6671	2.1152	2.6196	3.1314	4.0648	1.0944	4.6206	4.2761	4.6303	1.8113		1.7762
H12	2.6671	2.1152	2.6196	3.1314	4.0648	1.0944	4.6206	4.6303	4.2761	1.8113	1.7762

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O4	121.558	N1	N2	C6	116.237
N1	C5	H7	105.433	N1	C5	H8	109.312
N1	C5	H9	109.312	N2	N1	O3	121.558
N2	N1	C5	116.237	N2	C6	H10	105.433
N2	C6	H11	109.312	N2	C6	H12	109.312
O3	N1	C5	122.204	O4	N2	C6	122.204
H7	C5	H8	112.111	H7	C5	H9	112.111
H8	C5	H9	108.484	H10	C6	H11	112.111
H10	C6	H12	112.111	H11	C6	H12	108.484

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

using model chemistry: B3LYP/CEP-121G*

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
1	N	0.299
2	N	0.299
3	O	-0.428
4	O	-0.428
5	C	-0.502
6	C	-0.502
7	H	0.212
8	H	0.210
9	H	0.210
10	H	0.212
11	H	0.210
12	H	0.210

	x	y	z
x	8.242	-0.626	0.000
y	-0.626	9.910	0.000
z	0.000	0.000	4.914

<r²>	125.739
(<r²>)^1/2	11.213

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

using model chemistry: B3LYP/CEP-121G*

States and conformations

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