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	hartrees
Energy at 0K	-336.440483
Energy at 298.15K	-336.448973
HF Energy	-335.705474
Nuclear repulsion energy	249.861613

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3244	3086	0.00
2	A_g	3119	2967	0.00
3	A_g	1595	1517	0.00
4	A_g	1482	1410	0.00
5	A_g	1437	1367	0.00
6	A_g	1193	1135	0.00
7	A_g	1027	977	0.00
8	A_g	588	559	0.00
9	A_g	530	504	0.00
10	A_g	348	331	0.00
11	A_u	3197	3041	11.63
12	A_u	1573	1496	20.82
13	A_u	1171	1114	0.05
14	A_u	241	229	2.03
15	A_u	181	173	9.52
16	A_u	116	111	4.15
17	B_g	3196	3041	0.00
18	B_g	1572	1495	0.00
19	B_g	1151	1095	0.00
20	B_g	393	374	0.00
21	B_g	146	139	0.00
22	B_u	3244	3086	0.14
23	B_u	3119	2967	7.60
24	B_u	1679	1598	242.76
25	B_u	1581	1504	9.73
26	B_u	1484	1412	14.77
27	B_u	1204	1145	22.44
28	B_u	925	880	4.99
29	B_u	485	461	51.91
30	B_u	271	258	34.10

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.724	0.000
N2	0.000	-0.724	0.000
O3	-1.129	1.393	0.000
O4	1.129	-1.393	0.000
C5	1.389	1.275	0.000
C6	-1.389	-1.275	0.000
H7	1.268	2.356	0.000
H8	1.912	0.919	0.889
H9	1.912	0.919	-0.889
H10	-1.268	-2.356	0.000
H11	-1.912	-0.919	0.889
H12	-1.912	-0.919	-0.889

	N1	N2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
N1		1.4475	1.3127	2.3992	1.4946	2.4343	2.0669	2.1174	2.1174	3.3307	2.6726	2.6726
N2	1.4475		2.3992	1.3127	2.4343	1.4946	3.3307	2.6726	2.6726	2.0669	2.1174	2.1174
O3	1.3127	2.3992		3.5865	2.5211	2.6810	2.5834	3.2036	3.2036	3.7518	2.5975	2.5975
O4	2.3992	1.3127	3.5865		2.6810	2.5211	3.7518	2.5975	2.5975	2.5834	3.2036	3.2036
C5	1.4946	2.4343	2.5211	2.6810		3.7714	1.0876	1.0915	1.0915	4.4996	4.0619	4.0619
C6	2.4343	1.4946	2.6810	2.5211	3.7714		4.4996	4.0619	4.0619	1.0876	1.0915	1.0915
H7	2.0669	3.3307	2.5834	3.7518	1.0876	4.4996		1.8088	1.8088	5.3512	4.6502	4.6502
H8	2.1174	2.6726	3.2036	2.5975	1.0915	4.0619	1.8088		1.7789	4.6502	4.2418	4.5997
H9	2.1174	2.6726	3.2036	2.5975	1.0915	4.0619	1.8088	1.7789		4.6502	4.5997	4.2418
H10	3.3307	2.0669	3.7518	2.5834	4.4996	1.0876	5.3512	4.6502	4.6502		1.8088	1.8088
H11	2.6726	2.1174	2.5975	3.2036	4.0619	1.0915	4.6502	4.2418	4.5997	1.8088		1.7789
H12	2.6726	2.1174	2.5975	3.2036	4.0619	1.0915	4.6502	4.5997	4.2418	1.8088	1.7789

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O4	120.653	N1	N2	C6	111.656
N1	C5	H7	105.255	N1	C5	H8	108.927
N1	C5	H9	108.927	N2	N1	O3	120.653
N2	N1	C5	111.656	N2	C6	H10	105.255
N2	C6	H11	108.927	N2	C6	H12	108.927
O3	N1	C5	127.692	O4	N2	C6	127.692
H7	C5	H8	112.214	H7	C5	H9	112.214
H8	C5	H9	109.155	H10	C6	H11	112.214
H10	C6	H12	112.214	H11	C6	H12	109.155

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

using model chemistry: MP2/3-21G*

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

using model chemistry: MP2/3-21G*

States and conformations

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