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	hartrees
Energy at 0K	-339.754545
Energy at 298.15K	-339.763538
HF Energy	-339.754545
Nuclear repulsion energy	258.906658

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3200	3089	0.00
2	A_g	3067	2961	0.00
3	A_g	1545	1491	0.00
4	A_g	1460	1410	0.00
5	A_g	1427	1378	0.00
6	A_g	1386	1338	0.00
7	A_g	1107	1069	0.00
8	A_g	784	757	0.00
9	A_g	619	598	0.00
10	A_g	411	396	0.00
11	A_u	3135	3027	7.76
12	A_u	1469	1418	28.08
13	A_u	1132	1093	0.02
14	A_u	327	315	4.04
15	A_u	182	175	14.00
16	A_u	114	110	3.48
17	B_g	3135	3026	0.00
18	B_g	1467	1416	0.00
19	B_g	1106	1068	0.00
20	B_g	491	474	0.00
21	B_g	147	142	0.00
22	B_u	3201	3090	0.38
23	B_u	3067	2961	9.33
24	B_u	1483	1432	1.44
25	B_u	1436	1387	11.13
26	B_u	1321	1275	352.11
27	B_u	1144	1105	97.83
28	B_u	949	916	37.93
29	B_u	552	533	39.29
30	B_u	298	288	23.53

Atom	x (Å)	y (Å)	z (Å)
N1	-0.060	0.650	0.000
N2	0.060	-0.650	0.000
O3	-1.194	1.214	0.000
O4	1.194	-1.214	0.000
C5	1.194	1.418	0.000
C6	-1.194	-1.418	0.000
H7	0.896	2.460	0.000
H8	1.777	1.160	0.884
H9	1.777	1.160	-0.884
H10	-0.896	-2.460	0.000
H11	-1.777	-1.160	0.884
H12	-1.777	-1.160	-0.884

	N1	N2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
N1		1.3048	1.2672	2.2466	1.4709	2.3583	2.0471	2.1017	2.1017	3.2199	2.6470	2.6470
N2	1.3048		2.2466	1.2672	2.3583	1.4709	3.2199	2.6470	2.6470	2.0471	2.1017	2.1017
O3	1.2672	2.2466		3.4064	2.3975	2.6320	2.4335	3.1009	3.1009	3.6861	2.5998	2.5998
O4	2.2466	1.2672	3.4064		2.6320	2.3975	3.6861	2.5998	2.5998	2.4335	3.1009	3.1009
C5	1.4709	2.3583	2.3975	2.6320		3.7078	1.0838	1.0894	1.0894	4.4053	4.0324	4.0324
C6	2.3583	1.4709	2.6320	2.3975	3.7078		4.4053	4.0324	4.0324	1.0838	1.0894	1.0894
H7	2.0471	3.2199	2.4335	3.6861	1.0838	4.4053		1.8016	1.8016	5.2359	4.5863	4.5863
H8	2.1017	2.6470	3.1009	2.5998	1.0894	4.0324	1.8016		1.7671	4.5863	4.2454	4.5984
H9	2.1017	2.6470	3.1009	2.5998	1.0894	4.0324	1.8016	1.7671		4.5863	4.5984	4.2454
H10	3.2199	2.0471	3.6861	2.4335	4.4053	1.0838	5.2359	4.5863	4.5863		1.8016	1.8016
H11	2.6470	2.1017	2.5998	3.1009	4.0324	1.0894	4.5863	4.2454	4.5984	1.8016		1.7671
H12	2.6470	2.1017	2.5998	3.1009	4.0324	1.0894	4.5863	4.5984	4.2454	1.8016	1.7671

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O4	121.726	N1	N2	C6	116.216
N1	C5	H7	105.508	N1	C5	H8	109.447
N1	C5	H9	109.447	N2	N1	O3	121.726
N2	N1	C5	116.216	N2	C6	H10	105.508
N2	C6	H11	109.447	N2	C6	H12	109.447
O3	N1	C5	122.058	O4	N2	C6	122.058
H7	C5	H8	111.994	H7	C5	H9	111.994
H8	C5	H9	108.392	H10	C6	H11	111.994
H10	C6	H12	111.994	H11	C6	H12	108.392

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

using model chemistry: B3LYP/TZVP

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	0.124
2	N	0.124
3	O	-0.325
4	O	-0.325
5	C	-0.280
6	C	-0.280
7	H	0.162
8	H	0.160
9	H	0.160
10	H	0.162
11	H	0.160
12	H	0.160

	x	y	z
x	8.467	-0.835	0.000
y	-0.835	9.848	0.000
z	0.000	0.000	5.119

<r²>	151.107
(<r²>)^1/2	12.293

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

using model chemistry: B3LYP/TZVP

States and conformations

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