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	hartrees
Energy at 0K	-339.352767
Energy at 298.15K	-339.361571
Nuclear repulsion energy	257.467588

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3141	3108	0.00
2	A_g	3000	2969	0.00
3	A_g	1518	1502	0.00
4	A_g	1421	1406	0.00
5	A_g	1384	1370	0.00
6	A_g	1310	1296	0.00
7	A_g	1070	1059	0.00
8	A_g	758	750	0.00
9	A_g	605	598	0.00
10	A_g	396	392	0.00
11	A_u	3071	3039	16.05
12	A_u	1430	1415	25.93
13	A_u	1096	1084	0.27
14	A_u	313	310	4.24
15	A_u	182	180	11.29
16	A_u	102	101	2.36
17	B_g	3071	3039	0.00
18	B_g	1426	1411	0.00
19	B_g	1065	1053	0.00
20	B_g	457	452	0.00
21	B_g	140	139	0.00
22	B_u	3142	3109	1.02
23	B_u	3001	2969	14.33
24	B_u	1451	1436	1.01
25	B_u	1393	1379	77.23
26	B_u	1339	1325	230.78
27	B_u	1124	1113	27.36
28	B_u	926	916	28.38
29	B_u	538	532	29.27
30	B_u	286	283	22.49

Atom	x (Å)	y (Å)	z (Å)
N1	-0.067	0.664	0.000
N2	0.067	-0.664	0.000
O3	-1.202	1.224	0.000
O4	1.202	-1.224	0.000
C5	1.202	1.413	0.000
C6	-1.202	-1.413	0.000
H7	0.918	2.468	0.000
H8	1.789	1.147	0.890
H9	1.789	1.147	-0.890
H10	-0.918	-2.468	0.000
H11	-1.789	-1.147	0.890
H12	-1.789	-1.147	-0.890

	N1	N2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
N1		1.3342	1.2662	2.2745	1.4738	2.3670	2.0559	2.1142	2.1142	3.2458	2.6528	2.6528
N2	1.3342		2.2745	1.2662	2.3670	1.4738	3.2458	2.6528	2.6528	2.0559	2.1142	2.1142
O3	1.2662	2.2745		3.4312	2.4121	2.6369	2.4588	3.1220	3.1220	3.7031	2.5995	2.5995
O4	2.2745	1.2662	3.4312		2.6369	2.4121	3.7031	2.5995	2.5995	2.4588	3.1220	3.1220
C5	1.4738	2.3670	2.4121	2.6369		3.7107	1.0929	1.0989	1.0989	4.4229	4.0366	4.0366
C6	2.3670	1.4738	2.6369	2.4121	3.7107		4.4229	4.0366	4.0366	1.0929	1.0989	1.0989
H7	2.0559	3.2458	2.4588	3.7031	1.0929	4.4229		1.8158	1.8158	5.2672	4.6035	4.6035
H8	2.1142	2.6528	3.1220	2.5995	1.0989	4.0366	1.8158		1.7804	4.6035	4.2502	4.6081
H9	2.1142	2.6528	3.1220	2.5995	1.0989	4.0366	1.8158	1.7804		4.6035	4.6081	4.2502
H10	3.2458	2.0559	3.7031	2.4588	4.4229	1.0929	5.2672	4.6035	4.6035		1.8158	1.8158
H11	2.6528	2.1142	2.5995	3.1220	4.0366	1.0989	4.6035	4.2502	4.6081	1.8158		1.7804
H12	2.6528	2.1142	2.5995	3.1220	4.0366	1.0989	4.6035	4.6081	4.2502	1.8158	1.7804

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O4	121.995	N1	N2	C6	114.818
N1	C5	H7	105.489	N1	C5	H8	109.671
N1	C5	H9	109.671	N2	N1	O3	121.995
N2	N1	C5	114.818	N2	C6	H10	105.489
N2	C6	H11	109.671	N2	C6	H12	109.671
O3	N1	C5	123.187	O4	N2	C6	123.187
H7	C5	H8	111.880	H7	C5	H9	111.880
H8	C5	H9	108.216	H10	C6	H11	111.880
H10	C6	H12	111.880	H11	C6	H12	108.216

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

using model chemistry: PBEPBE/6-311G*

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	0.103
2	N	0.103
3	O	-0.356
4	O	-0.356
5	C	-0.499
6	C	-0.499
7	H	0.244
8	H	0.255
9	H	0.255
10	H	0.244
11	H	0.255
12	H	0.255

	x	y	z
x	8.264	-0.387	0.000
y	-0.387	9.380	0.000
z	0.000	0.000	4.643

<r²>	152.110
(<r²>)^1/2	12.333

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

using model chemistry: PBEPBE/6-311G*

States and conformations

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