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	hartrees
Energy at 0K	-339.290078
Energy at 298.15K	-339.298874
Nuclear repulsion energy	257.316289

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3147	3129	0.00
2	A_g	2993	2976	0.00
3	A_g	1524	1515	0.00
4	A_g	1383	1375	0.00
5	A_g	1358	1350	0.00
6	A_g	1302	1294	0.00
7	A_g	1048	1041	0.00
8	A_g	762	757	0.00
9	A_g	608	604	0.00
10	A_g	393	391	0.00
11	A_u	3075	3057	6.97
12	A_u	1379	1371	22.85
13	A_u	1068	1062	0.53
14	A_u	313	312	4.97
15	A_u	186	185	10.40
16	A_u	104	103	1.65
17	B_g	3075	3057	0.00
18	B_g	1375	1367	0.00
19	B_g	1039	1033	0.00
20	B_g	450	447	0.00
21	B_g	140	139	0.00
22	B_u	3148	3130	0.10
23	B_u	2994	2976	13.89
24	B_u	1420	1412	49.10
25	B_u	1368	1360	160.50
26	B_u	1321	1314	72.74
27	B_u	1113	1107	12.96
28	B_u	917	911	30.04
29	B_u	534	531	30.88
30	B_u	285	283	22.29

Atom	x (Å)	y (Å)	z (Å)
N1	-0.068	0.664	0.000
N2	0.068	-0.664	0.000
O3	-1.205	1.222	0.000
O4	1.205	-1.222	0.000
C5	1.205	1.408	0.000
C6	-1.205	-1.408	0.000
H7	0.921	2.472	0.000
H8	1.796	1.133	0.895
H9	1.796	1.133	-0.895
H10	-0.921	-2.472	0.000
H11	-1.796	-1.133	0.895
H12	-1.796	-1.133	-0.895

	N1	N2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
N1		1.3354	1.2663	2.2753	1.4740	2.3635	2.0606	2.1200	2.1200	3.2502	2.6490	2.6490
N2	1.3354		2.2753	1.2663	2.3635	1.4740	3.2502	2.6490	2.6490	2.0606	2.1200	2.1200
O3	1.2663	2.2753		3.4319	2.4166	2.6299	2.4661	3.1325	3.1325	3.7048	2.5878	2.5878
O4	2.2753	1.2663	3.4319		2.6299	2.4166	3.7048	2.5878	2.5878	2.4661	3.1325	3.1325
C5	1.4740	2.3635	2.4166	2.6299		3.7059	1.1012	1.1073	1.1073	4.4241	4.0324	4.0324
C6	2.3635	1.4740	2.6299	2.4166	3.7059		4.4241	4.0324	4.0324	1.1012	1.1073	1.1073
H7	2.0606	3.2502	2.4661	3.7048	1.1012	4.4241		1.8327	1.8327	5.2760	4.6021	4.6021
H8	2.1200	2.6490	3.1325	2.5878	1.1073	4.0324	1.8327		1.7901	4.6021	4.2468	4.6086
H9	2.1200	2.6490	3.1325	2.5878	1.1073	4.0324	1.8327	1.7901		4.6021	4.6086	4.2468
H10	3.2502	2.0606	3.7048	2.4661	4.4241	1.1012	5.2760	4.6021	4.6021		1.8327	1.8327
H11	2.6490	2.1200	2.5878	3.1325	4.0324	1.1073	4.6021	4.2468	4.6086	1.8327		1.7901
H12	2.6490	2.1200	2.5878	3.1325	4.0324	1.1073	4.6021	4.6086	4.2468	1.8327	1.7901

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O4	121.969	N1	N2	C6	114.465
N1	C5	H7	105.382	N1	C5	H8	109.615
N1	C5	H9	109.615	N2	N1	O3	121.969
N2	N1	C5	114.465	N2	C6	H10	105.382
N2	C6	H11	109.615	N2	C6	H12	109.615
O3	N1	C5	123.565	O4	N2	C6	123.565
H7	C5	H8	112.167	H7	C5	H9	112.167
H8	C5	H9	107.862	H10	C6	H11	112.167
H10	C6	H12	112.167	H11	C6	H12	107.862

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

using model chemistry: PBEPBE/cc-pVDZ

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	0.060
2	N	0.060
3	O	-0.325
4	O	-0.325
5	C	0.065
6	C	0.065
7	H	0.059
8	H	0.071
9	H	0.071
10	H	0.059
11	H	0.071
12	H	0.071

	x	y	z
x	8.123	-0.226	0.000
y	-0.226	9.205	0.000
z	0.000	0.000	4.459

<r²>	151.799
(<r²>)^1/2	12.321

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

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

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