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	hartrees
Energy at 0K	-338.658692
Energy at 298.15K	-338.667816
HF Energy	-337.644655
Nuclear repulsion energy	258.653740

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3247	3092	0.00
2	A_g	3112	2964	0.00
3	A_g	1614	1537	0.00
4	A_g	1511	1439	0.00
5	A_g	1485	1414	0.00
6	A_g	1452	1383	0.00
7	A_g	1130	1076	0.00
8	A_g	805	767	0.00
9	A_g	634	604	0.00
10	A_g	419	399	0.00
11	A_u	3196	3044	5.14
12	A_u	1513	1441	20.84
13	A_u	1160	1105	0.06
14	A_u	339	323	5.86
15	A_u	193	184	12.38
16	A_u	137	130	5.35
17	B_g	3196	3043	0.00
18	B_g	1511	1439	0.00
19	B_g	1129	1076	0.00
20	B_g	497	473	0.00
21	B_g	171	163	0.00
22	B_u	3247	3092	0.59
23	B_u	3112	2964	10.54
24	B_u	1525	1452	4.01
25	B_u	1467	1397	8.91
26	B_u	1341	1277	288.75
27	B_u	1177	1121	82.87
28	B_u	976	929	59.77
29	B_u	547	521	44.18
30	B_u	312	297	26.59

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.649	0.000
N2	0.000	-0.649	0.000
O3	-1.088	1.318	0.000
O4	1.088	-1.318	0.000
C5	1.322	1.292	0.000
C6	-1.322	-1.292	0.000
H7	1.117	2.362	0.000
H8	1.874	0.976	0.889
H9	1.874	0.976	-0.889
H10	-1.117	-2.362	0.000
H11	-1.874	-0.976	0.889
H12	-1.874	-0.976	-0.889

	N1	N2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
N1		1.2975	1.2774	2.2477	1.4708	2.3489	2.0451	2.1000	2.1000	3.2111	2.6351	2.6351
N2	1.2975		2.2477	1.2774	2.3489	1.4708	3.2111	2.6351	2.6351	2.0451	2.1000	2.1000
O3	1.2774	2.2477		3.4183	2.4106	2.6211	2.4398	3.1115	3.1115	3.6799	2.5832	2.5832
O4	2.2477	1.2774	3.4183		2.6211	2.4106	3.6799	2.5832	2.5832	2.4398	3.1115	3.1115
C5	1.4708	2.3489	2.4106	2.6211		3.6983	1.0887	1.0931	1.0931	4.3938	4.0194	4.0194
C6	2.3489	1.4708	2.6211	2.4106	3.6983		4.3938	4.0194	4.0194	1.0887	1.0931	1.0931
H7	2.0451	3.2111	2.4398	3.6799	1.0887	4.3938		1.8117	1.8117	5.2253	4.5696	4.5696
H8	2.1000	2.6351	3.1115	2.5832	1.0931	4.0194	1.8117		1.7782	4.5696	4.2263	4.5852
H9	2.1000	2.6351	3.1115	2.5832	1.0931	4.0194	1.8117	1.7782		4.5696	4.5852	4.2263
H10	3.2111	2.0451	3.6799	2.4398	4.3938	1.0887	5.2253	4.5696	4.5696		1.8117	1.8117
H11	2.6351	2.1000	2.5832	3.1115	4.0194	1.0931	4.5696	4.2263	4.5852	1.8117		1.7782
H12	2.6351	2.1000	2.5832	3.1115	4.0194	1.0931	4.5696	4.5852	4.2263	1.8117	1.7782

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O4	121.601	N1	N2	C6	115.953
N1	C5	H7	105.095	N1	C5	H8	109.100
N1	C5	H9	109.100	N2	N1	O3	121.601
N2	N1	C5	115.953	N2	C6	H10	105.095
N2	C6	H11	109.100	N2	C6	H12	109.100
O3	N1	C5	122.446	O4	N2	C6	122.446
H7	C5	H8	112.280	H7	C5	H9	112.280
H8	C5	H9	108.859	H10	C6	H11	112.280
H10	C6	H12	112.280	H11	C6	H12	108.859

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

using model chemistry: QCISD/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: QCISD/6-31G*

States and conformations

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