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	hartrees
Energy at 0K	-335.046669
Energy at 298.15K	-335.052874
Nuclear repulsion energy	220.951714

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3513	3102	0.00
2	A_g	3500	3091	0.00
3	A_g	3307	2920	0.00
4	A_g	1661	1467	0.00
5	A_g	1625	1435	0.00
6	A_g	1622	1433	0.00
7	A_g	1464	1293	0.00
8	A_g	1151	1016	0.00
9	A_g	995	879	0.00
10	A_g	874	772	0.00
11	A_g	523	462	0.00
12	A_g	261	230	0.00
13	A_g	136	120	0.00
14	A_g	111	98	0.00
15	A_g	105	92	0.00
16	A_u	3513	3102	2.49
17	A_u	3500	3091	0.64
18	A_u	3307	2920	9.49
19	A_u	1660	1465	11.73
20	A_u	1625	1435	15.15
21	A_u	1622	1432	28.07
22	A_u	1462	1291	11.74
23	A_u	1147	1013	44.56
24	A_u	988	873	1.98
25	A_u	872	770	36.21
26	A_u	518	457	0.84
27	A_u	162	143	8.81
28	A_u	86	76	4.63
29	A_u	69	61	5.10
30	A_u	15	13	3.67

Atom	x (Å)	y (Å)	z (Å)
N1	-0.122	1.245	-0.140
N2	0.122	-1.245	0.140
O3	-0.747	1.490	-1.225
O4	0.747	-1.490	1.225
C5	1.356	1.796	-0.217
C6	-1.356	-1.796	0.217
H7	1.466	2.545	0.583
H8	2.030	0.950	-0.014
H9	1.568	2.241	-1.201
H10	-1.466	-2.545	-0.583
H11	-1.568	-2.241	1.201
H12	-2.030	-0.950	0.014

	N1	N2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
N1		2.5173	1.2751	3.1775	1.5796	3.3010	2.1765	2.1758	2.2298	4.0456	4.0048	2.9118
N2	2.5173		3.1775	1.2751	3.3010	1.5796	4.0456	2.9118	4.0048	2.1765	2.2298	2.1758
O3	1.2751	3.1775		4.1361	2.3524	3.6392	3.0463	3.0772	2.4338	4.1484	4.5247	3.0213
O4	3.1775	1.2751	4.1361		3.6392	2.3524	4.1484	3.0213	4.5247	3.0463	2.4338	3.0772
C5	1.5796	3.3010	2.3524	3.6392		4.5218	1.1011	1.1005	1.1004	5.1910	5.1822	4.3654
C6	3.3010	1.5796	3.6392	2.3524	4.5218		5.1910	4.3654	5.1822	1.1011	1.1004	1.1005
H7	2.1765	4.0456	3.0463	4.1484	1.1011	5.1910		1.7941	1.8119	5.9893	5.7004	4.9760
H8	2.1758	2.9118	3.0772	3.0213	1.1005	4.3654	1.7941		1.8138	4.9760	4.9595	4.4820
H9	2.2298	4.0048	2.4338	4.5247	1.1004	5.1822	1.8119	1.8138		5.7004	5.9737	4.9595
H10	4.0456	2.1765	4.1484	3.0463	5.1910	1.1011	5.9893	4.9760	5.7004		1.8119	1.7941
H11	4.0048	2.2298	4.5247	2.4338	5.1822	1.1004	5.7004	4.9595	5.9737	1.8119		1.8138
H12	2.9118	2.1758	3.0213	3.0772	4.3654	1.1005	4.9760	4.4820	4.9595	1.7941	1.8138

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O4	109.411	N1	N2	C6	105.046
N1	C5	H7	107.213	N1	C5	H8	107.193
N1	C5	H9	111.354	N2	N1	O3	109.411
N2	N1	C5	105.046	N2	C6	H10	107.213
N2	C6	H11	111.354	N2	C6	H12	107.193
O3	N1	C5	110.529	O4	N2	C6	110.529
H7	C5	H8	109.155	H7	C5	H9	110.775
H8	C5	H9	111.001	H10	C6	H11	110.775
H10	C6	H12	109.155	H11	C6	H12	111.001

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

using model chemistry: B1B95/STO-3G

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	-0.019
2	N	-0.019
3	O	-0.075
4	O	-0.075
5	C	-0.194
6	C	-0.194
7	H	0.095
8	H	0.103
9	H	0.090
10	H	0.095
11	H	0.090
12	H	0.103

	x	y	z	Total
	0.000	0.000	0.000	0.000
CHELPG
AIM
ESP

	x	y	z
x	4.259	0.453	1.117
y	0.453	4.697	-0.661
z	1.117	-0.661	3.431

<r²>	217.213
(<r²>)^1/2	14.738

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

using model chemistry: B1B95/STO-3G

States and conformations

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