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	hartrees
Energy at 0K	-336.451200
Energy at 298.15K	-336.459693
Nuclear repulsion energy	249.888640

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3245	3076	0.00
2	A_g	3119	2957	0.00
3	A_g	1595	1512	0.00
4	A_g	1482	1405	0.00
5	A_g	1438	1363	0.00
6	A_g	1194	1131	0.00
7	A_g	1028	974	0.00
8	A_g	588	558	0.00
9	A_g	530	502	0.00
10	A_g	348	330	0.00
11	A_u	3198	3031	11.53
12	A_u	1573	1491	20.90
13	A_u	1171	1110	0.05
14	A_u	241	229	2.00
15	A_u	182	172	9.55
16	A_u	117	111	4.13
17	B_g	3197	3031	0.00
18	B_g	1572	1490	0.00
19	B_g	1151	1092	0.00
20	B_g	395	374	0.00
21	B_g	147	139	0.00
22	B_u	3245	3076	0.14
23	B_u	3120	2957	7.51
24	B_u	1681	1594	245.79
25	B_u	1581	1499	9.75
26	B_u	1485	1408	14.92
27	B_u	1204	1142	22.68
28	B_u	926	877	4.98
29	B_u	485	460	51.91
30	B_u	271	257	34.12

Atom	x (Å)	y (Å)	z (Å)
N1	-0.070	0.720	0.000
N2	0.070	-0.720	0.000
O3	-1.259	1.277	0.000
O4	1.259	-1.277	0.000
C5	1.259	1.404	0.000
C6	-1.259	-1.404	0.000
H7	1.034	2.468	0.000
H8	1.813	1.099	0.889
H9	1.813	1.099	-0.889
H10	-1.034	-2.468	0.000
H11	-1.813	-1.099	0.889
H12	-1.813	-1.099	-0.889

	N1	N2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
N1		1.4478	1.3125	2.3992	1.4943	2.4340	2.0667	2.1170	2.1170	3.3305	2.6721	2.6721
N2	1.4478		2.3992	1.3125	2.4340	1.4943	3.3305	2.6721	2.6721	2.0667	2.1170	2.1170
O3	1.3125	2.3992		3.5863	2.5208	2.6806	2.5833	3.2032	3.2032	3.7513	2.5970	2.5970
O4	2.3992	1.3125	3.5863		2.6806	2.5208	3.7513	2.5970	2.5970	2.5833	3.2032	3.2032
C5	1.4943	2.4340	2.5208	2.6806		3.7708	1.0875	1.0913	1.0913	4.4991	4.0611	4.0611
C6	2.4340	1.4943	2.6806	2.5208	3.7708		4.4991	4.0611	4.0611	1.0875	1.0913	1.0913
H7	2.0667	3.3305	2.5833	3.7513	1.0875	4.4991		1.8086	1.8086	5.3507	4.6495	4.6495
H8	2.1170	2.6721	3.2032	2.5970	1.0913	4.0611	1.8086		1.7786	4.6495	4.2408	4.5987
H9	2.1170	2.6721	3.2032	2.5970	1.0913	4.0611	1.8086	1.7786		4.6495	4.5987	4.2408
H10	3.3305	2.0667	3.7513	2.5833	4.4991	1.0875	5.3507	4.6495	4.6495		1.8086	1.8086
H11	2.6721	2.1170	2.5970	3.2032	4.0611	1.0913	4.6495	4.2408	4.5987	1.8086		1.7786
H12	2.6721	2.1170	2.5970	3.2032	4.0611	1.0913	4.6495	4.5987	4.2408	1.8086	1.7786

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O4	120.657	N1	N2	C6	111.636
N1	C5	H7	105.260	N1	C5	H8	108.927
N1	C5	H9	108.927	N2	N1	O3	120.657
N2	N1	C5	111.636	N2	C6	H10	105.260
N2	C6	H11	108.927	N2	C6	H12	108.927
O3	N1	C5	127.707	O4	N2	C6	127.707
H7	C5	H8	112.213	H7	C5	H9	112.213
H8	C5	H9	109.151	H10	C6	H11	112.213
H10	C6	H12	112.213	H11	C6	H12	109.151

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)