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	hartrees
Energy at 0K	-336.451200
Energy at 298.15K	-336.459710
HF Energy	-335.705537
Nuclear repulsion energy	249.904318

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3245	3098	0.00
2	A_g	3119	2978	0.00
3	A_g	1595	1523	0.00
4	A_g	1483	1416	0.00
5	A_g	1438	1373	0.00
6	A_g	1194	1140	0.00
7	A_g	1028	981	0.00
8	A_g	589	562	0.00
9	A_g	530	506	0.00
10	A_g	348	333	0.00
11	A_u	3197	3053	11.55
12	A_u	1573	1502	20.92
13	A_u	1171	1118	0.05
14	A_u	242	231	2.01
15	A_u	182	173	9.52
16	A_u	117	111	4.16
17	B_g	3197	3052	0.00
18	B_g	1572	1501	0.00
19	B_g	1152	1099	0.00
20	B_g	395	377	0.00
21	B_g	147	140	0.00
22	B_u	3245	3098	0.14
23	B_u	3120	2979	7.53
24	B_u	1680	1604	242.84
25	B_u	1581	1510	9.79
26	B_u	1485	1418	14.91
27	B_u	1204	1150	22.47
28	B_u	926	884	5.01
29	B_u	485	463	51.88
30	B_u	271	259	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	1.911	0.919	0.889
H9	1.911	0.919	-0.889
H10	-1.268	-2.356	0.000
H11	-1.911	-0.919	0.889
H12	-1.911	-0.919	-0.889

	N1	N2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
N1		1.4475	1.3126	2.3989	1.4941	2.4338	2.0665	2.1170	2.1170	3.3302	2.6722	2.6722
N2	1.4475		2.3989	1.3126	2.4338	1.4941	3.3302	2.6722	2.6722	2.0665	2.1170	2.1170
O3	1.3126	2.3989		3.5861	2.5206	2.6804	2.5831	3.2031	3.2031	3.7512	2.5970	2.5970
O4	2.3989	1.3126	3.5861		2.6804	2.5206	3.7512	2.5970	2.5970	2.5831	3.2031	3.2031
C5	1.4941	2.4338	2.5206	2.6804		3.7704	1.0875	1.0913	1.0913	4.4987	4.0610	4.0610
C6	2.4338	1.4941	2.6804	2.5206	3.7704		4.4987	4.0610	4.0610	1.0875	1.0913	1.0913
H7	2.0665	3.3302	2.5831	3.7512	1.0875	4.4987		1.8085	1.8085	5.3504	4.6494	4.6494
H8	2.1170	2.6722	3.2031	2.5970	1.0913	4.0610	1.8085		1.7785	4.6494	4.2410	4.5988
H9	2.1170	2.6722	3.2031	2.5970	1.0913	4.0610	1.8085	1.7785		4.6494	4.5988	4.2410
H10	3.3302	2.0665	3.7512	2.5831	4.4987	1.0875	5.3504	4.6494	4.6494		1.8085	1.8085
H11	2.6722	2.1170	2.5970	3.2031	4.0610	1.0913	4.6494	4.2410	4.5988	1.8085		1.7785
H12	2.6722	2.1170	2.5970	3.2031	4.0610	1.0913	4.6494	4.5988	4.2410	1.8085	1.7785

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O4	120.649	N1	N2	C6	111.654
N1	C5	H7	105.268	N1	C5	H8	108.938
N1	C5	H9	108.938	N2	N1	O3	120.649
N2	N1	C5	111.654	N2	C6	H10	105.268
N2	C6	H11	108.938	N2	C6	H12	108.938
O3	N1	C5	127.697	O4	N2	C6	127.697
H7	C5	H8	112.205	H7	C5	H9	112.205
H8	C5	H9	109.140	H10	C6	H11	112.205
H10	C6	H12	112.205	H11	C6	H12	109.140

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

using model chemistry: MP2=FULL/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=FULL/3-21G

States and conformations

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