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	hartrees
Energy at 0K	-338.706282
Energy at 298.15K	-338.715383
HF Energy	-337.655095
Nuclear repulsion energy	258.889590

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3289	3096	0.00
2	A_g	3148	2963	0.00
3	A_g	1618	1523	0.00
4	A_g	1520	1431	0.00
5	A_g	1487	1400	0.00
6	A_g	1458	1372	0.00
7	A_g	1135	1068	0.00
8	A_g	806	759	0.00
9	A_g	633	596	0.00
10	A_g	416	391	0.00
11	A_u	3238	3048	6.82
12	A_u	1525	1436	17.28
13	A_u	1165	1096	0.46
14	A_u	336	316	6.20
15	A_u	191	180	12.97
16	A_u	128	121	4.00
17	B_g	3238	3048	0.00
18	B_g	1523	1434	0.00
19	B_g	1134	1068	0.00
20	B_g	493	464	0.00
21	B_g	160	151	0.00
22	B_u	3289	3096	0.71
23	B_u	3148	2963	13.04
24	B_u	1535	1445	3.65
25	B_u	1473	1387	5.02
26	B_u	1343	1264	281.81
27	B_u	1182	1112	89.40
28	B_u	977	919	60.65
29	B_u	544	513	44.22
30	B_u	309	291	25.88

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.649	0.000
N2	0.000	-0.649	0.000
O3	-1.086	1.319	0.000
O4	1.086	-1.319	0.000
C5	1.323	1.290	0.000
C6	-1.323	-1.290	0.000
H7	1.121	2.354	0.000
H8	1.871	0.974	0.884
H9	1.871	0.974	-0.884
H10	-1.121	-2.354	0.000
H11	-1.871	-0.974	0.884
H12	-1.871	-0.974	-0.884

	N1	N2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
N1		1.2973	1.2768	2.2480	1.4705	2.3473	2.0409	2.0945	2.0945	3.2051	2.6294	2.6294
N2	1.2973		2.2480	1.2768	2.3473	1.4705	3.2051	2.6294	2.6294	2.0409	2.0945	2.0945
O3	1.2768	2.2480		3.4183	2.4098	2.6203	2.4380	3.1057	3.1057	3.6735	2.5800	2.5800
O4	2.2480	1.2768	3.4183		2.6203	2.4098	3.6735	2.5800	2.5800	2.4380	3.1057	3.1057
C5	1.4705	2.3473	2.4098	2.6203		3.6961	1.0828	1.0872	1.0872	4.3880	4.0135	4.0135
C6	2.3473	1.4705	2.6203	2.4098	3.6961		4.3880	4.0135	4.0135	1.0828	1.0872	1.0872
H7	2.0409	3.2051	2.4380	3.6735	1.0828	4.3880		1.8024	1.8024	5.2147	4.5615	4.5615
H8	2.0945	2.6294	3.1057	2.5800	1.0872	4.0135	1.8024		1.7689	4.5615	4.2178	4.5737
H9	2.0945	2.6294	3.1057	2.5800	1.0872	4.0135	1.8024	1.7689		4.5615	4.5737	4.2178
H10	3.2051	2.0409	3.6735	2.4380	4.3880	1.0828	5.2147	4.5615	4.5615		1.8024	1.8024
H11	2.6294	2.0945	2.5800	3.1057	4.0135	1.0872	4.5615	4.2178	4.5737	1.8024		1.7689
H12	2.6294	2.0945	2.5800	3.1057	4.0135	1.0872	4.5615	4.5737	4.2178	1.8024	1.7689

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O4	121.691	N1	N2	C6	115.865
N1	C5	H7	105.113	N1	C5	H8	109.035
N1	C5	H9	109.035	N2	N1	O3	121.691
N2	N1	C5	115.865	N2	C6	H10	105.113
N2	C6	H11	109.035	N2	C6	H12	109.035
O3	N1	C5	122.444	O4	N2	C6	122.444
H7	C5	H8	112.318	H7	C5	H9	112.318
H8	C5	H9	108.887	H10	C6	H11	112.318
H10	C6	H12	112.318	H11	C6	H12	108.887

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)