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	hartrees
Energy at 0K	-66.444498
Energy at 298.15K
HF Energy	-66.444498
Nuclear repulsion energy	144.585443

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3250	3111	0.00
2	A_g	3111	2978	0.00
3	A_g	1643	1573	0.00
4	A_g	1474	1411	0.00
5	A_g	1456	1393	0.00
6	A_g	1407	1347	0.00
7	A_g	1095	1048	0.00
8	A_g	811	776	0.00
9	A_g	626	600	0.00
10	A_g	383	367	0.00
11	A_u	3194	3058	18.30
12	A_u	1454	1392	26.07
13	A_u	1123	1075	0.47
14	A_u	339	325	5.53
15	A_u	189	181	16.11
16	A_u	58i	56i	2.28
17	B_g	3193	3057	0.00
18	B_g	1452	1390	0.00
19	B_g	1098	1051	0.00
20	B_g	510	488	0.00
21	B_g	78	74	0.00
22	B_u	3251	3112	3.57
23	B_u	3110	2977	14.25
24	B_u	1482	1418	33.27
25	B_u	1429	1368	142.93
26	B_u	1390	1331	266.42
27	B_u	1157	1108	21.34
28	B_u	969	928	36.80
29	B_u	539	516	37.97
30	B_u	268	257	24.68

Atom	x (Å)	y (Å)	z (Å)
N1	-0.063	0.653	0.000
N2	0.063	-0.653	0.000
O3	-1.194	1.245	0.000
O4	1.194	-1.245	0.000
C5	1.194	1.395	0.000
C6	-1.194	-1.395	0.000
H7	0.906	2.451	0.000
H8	1.780	1.136	0.894
H9	1.780	1.136	-0.894
H10	-0.906	-2.451	0.000
H11	-1.780	-1.136	0.894
H12	-1.780	-1.136	-0.894

	N1	N2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
N1		1.3115	1.2771	2.2763	1.4598	2.3394	2.0424	2.1042	2.1042	3.2159	2.6357	2.6357
N2	1.3115		2.2763	1.2771	2.3394	1.4598	3.2159	2.6357	2.6357	2.0424	2.1042	2.1042
O3	1.2771	2.2763		3.4504	2.3932	2.6399	2.4220	3.1073	3.1073	3.7068	2.6100	2.6100
O4	2.2763	1.2771	3.4504		2.6399	2.3932	3.7068	2.6100	2.6100	2.4220	3.1073	3.1073
C5	1.4598	2.3394	2.3932	2.6399		3.6726	1.0942	1.0994	1.0994	4.3818	4.0063	4.0063
C6	2.3394	1.4598	2.6399	2.3932	3.6726		4.3818	4.0063	4.0063	1.0942	1.0994	1.0994
H7	2.0424	3.2159	2.4220	3.7068	1.0942	4.3818		1.8136	1.8136	5.2256	4.5694	4.5694
H8	2.1042	2.6357	3.1073	2.6100	1.0994	4.0063	1.8136		1.7879	4.5694	4.2230	4.5858
H9	2.1042	2.6357	3.1073	2.6100	1.0994	4.0063	1.8136	1.7879		4.5694	4.5858	4.2230
H10	3.2159	2.0424	3.7068	2.4220	4.3818	1.0942	5.2256	4.5694	4.5694		1.8136	1.8136
H11	2.6357	2.1042	2.6100	3.1073	4.0063	1.0994	4.5694	4.2230	4.5858	1.8136		1.7879
H12	2.6357	2.1042	2.6100	3.1073	4.0063	1.0994	4.5694	4.5858	4.2230	1.8136	1.7879

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O4	123.131	N1	N2	C6	115.057
N1	C5	H7	105.300	N1	C5	H8	109.811
N1	C5	H9	109.811	N2	N1	O3	123.131
N2	N1	C5	115.057	N2	C6	H10	105.300
N2	C6	H11	109.811	N2	C6	H12	109.811
O3	N1	C5	121.812	O4	N2	C6	121.812
H7	C5	H8	111.534	H7	C5	H9	111.534
H8	C5	H9	108.802	H10	C6	H11	111.534
H10	C6	H12	111.534	H11	C6	H12	108.802

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

using model chemistry: B1B95/CEP-31G*

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	0.193
2	N	0.193
3	O	-0.264
4	O	-0.264
5	C	-0.595
6	C	-0.595
7	H	0.238
8	H	0.214
9	H	0.214
10	H	0.238
11	H	0.214
12	H	0.214

	x	y	z
x	7.689	-0.929	0.000
y	-0.929	8.973	0.000
z	0.000	0.000	4.174

<r²>	123.626
(<r²>)^1/2	11.119

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

using model chemistry: B1B95/CEP-31G*

States and conformations

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