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	hartrees
Energy at 0K	-338.200370
Energy at 298.15K	-338.209132
HF Energy	-337.459543
Nuclear repulsion energy	251.713030

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3241	3079	0.00
2	A_g	3098	2944	0.00
3	A_g	1572	1493	0.00
4	A_g	1497	1422	0.00
5	A_g	1471	1398	0.00
6	A_g	1233	1171	0.00
7	A_g	1078	1024	0.00
8	A_g	640	608	0.00
9	A_g	572	544	0.00
10	A_g	385	366	0.00
11	A_u	3189	3030	11.16
12	A_u	1539	1463	24.01
13	A_u	1170	1111	0.52
14	A_u	279	266	0.80
15	A_u	180	171	10.70
16	A_u	124	118	8.43
17	B_g	3188	3029	0.00
18	B_g	1538	1462	0.00
19	B_g	1143	1086	0.00
20	B_g	408	388	0.00
21	B_g	164	156	0.00
22	B_u	3241	3080	0.28
23	B_u	3098	2944	9.76
24	B_u	1598	1518	80.69
25	B_u	1550	1473	50.76
26	B_u	1494	1419	14.31
27	B_u	1223	1162	6.48
28	B_u	964	916	6.96
29	B_u	538	511	49.94
30	B_u	281	267	31.28

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.701	0.000
N2	0.000	-0.701	0.000
O3	-1.118	1.370	0.000
O4	1.118	-1.370	0.000
C5	1.347	1.328	0.000
C6	-1.347	-1.328	0.000
H7	1.161	2.402	0.000
H8	1.896	1.009	0.892
H9	1.896	1.009	-0.892
H10	-1.161	-2.402	0.000
H11	-1.896	-1.009	0.892
H12	-1.896	-1.009	-0.892

	N1	N2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
N1		1.4016	1.3031	2.3536	1.4855	2.4348	2.0597	2.1179	2.1179	3.3130	2.7042	2.7042
N2	1.4016		2.3536	1.3031	2.4348	1.4855	3.3130	2.7042	2.7042	2.0597	2.1179	2.1179
O3	1.3031	2.3536		3.5370	2.4651	2.7076	2.5017	3.1640	3.1640	3.7726	2.6571	2.6571
O4	2.3536	1.3031	3.5370		2.7076	2.4651	3.7726	2.6571	2.6571	2.5017	3.1640	3.1640
C5	1.4855	2.4348	2.4651	2.7076		3.7822	1.0904	1.0951	1.0951	4.4944	4.0951	4.0951
C6	2.4348	1.4855	2.7076	2.4651	3.7822		4.4944	4.0951	4.0951	1.0904	1.0951	1.0951
H7	2.0597	3.3130	2.5017	3.7726	1.0904	4.4944		1.8104	1.8104	5.3360	4.6664	4.6664
H8	2.1179	2.7042	3.1640	2.6571	1.0951	4.0951	1.8104		1.7840	4.6664	4.2953	4.6511
H9	2.1179	2.7042	3.1640	2.6571	1.0951	4.0951	1.8104	1.7840		4.6664	4.6511	4.2953
H10	3.3130	2.0597	3.7726	2.5017	4.4944	1.0904	5.3360	4.6664	4.6664		1.8104	1.8104
H11	2.7042	2.1179	2.6571	3.1640	4.0951	1.0951	4.6664	4.2953	4.6511	1.8104		1.7840
H12	2.7042	2.1179	2.6571	3.1640	4.0951	1.0951	4.6664	4.6511	4.2953	1.8104	1.7840

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O4	120.915	N1	N2	C6	114.960
N1	C5	H7	105.158	N1	C5	H8	109.383
N1	C5	H9	109.383	N2	N1	O3	120.915
N2	N1	C5	114.960	N2	C6	H10	105.158
N2	C6	H11	109.383	N2	C6	H12	109.383
O3	N1	C5	124.125	O4	N2	C6	124.125
H7	C5	H8	111.868	H7	C5	H9	111.868
H8	C5	H9	109.082	H10	C6	H11	111.868
H10	C6	H12	111.868	H11	C6	H12	109.082

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

using model chemistry: MP2=FULL/6-31G

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

using model chemistry: MP2=FULL/6-31G

States and conformations

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