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	hartrees
Energy at 0K	-339.370942
Energy at 298.15K
HF Energy	-339.370942
Nuclear repulsion energy	257.473968

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3268	3117	0.00
2	A_g	3111	2967	0.00
3	A_g	1562	1489	0.00
4	A_g	1505	1435	0.00
5	A_g	1432	1366	0.00
6	A_g	1414	1348	0.00
7	A_g	1112	1061	0.00
8	A_g	786	750	0.00
9	A_g	626	597	0.00
10	A_g	393	375	0.00
11	A_u	3196	3048	4.21
12	A_u	1503	1433	35.77
13	A_u	1161	1107	0.17
14	A_u	321	306	1.53
15	A_u	194	185	20.95
16	A_u	16i	16i	1.32
17	B_g	3195	3047	0.00
18	B_g	1500	1431	0.00
19	B_g	1135	1082	0.00
20	B_g	532	507	0.00
21	B_g	86	82	0.00
22	B_u	3269	3117	0.84
23	B_u	3111	2967	5.86
24	B_u	1522	1452	10.40
25	B_u	1465	1397	16.94
26	B_u	1313	1253	179.09
27	B_u	1173	1119	54.84
28	B_u	966	921	56.02
29	B_u	535	511	36.82
30	B_u	284	271	26.80

Atom	x (Å)	y (Å)	z (Å)
N1	-0.049	0.651	0.000
N2	0.049	-0.651	0.000
O3	-1.208	1.236	0.000
O4	1.208	-1.236	0.000
C5	1.208	1.396	0.000
C6	-1.208	-1.396	0.000
H7	0.929	2.443	0.000
H8	1.789	1.130	0.883
H9	1.789	1.130	-0.883
H10	-0.929	-2.443	0.000
H11	-1.789	-1.130	0.883
H12	-1.789	-1.130	-0.883

	N1	N2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
N1		1.3051	1.2984	2.2670	1.4610	2.3522	2.0420	2.0943	2.0943	3.2167	2.6414	2.6414
N2	1.3051		2.2670	1.2984	2.3522	1.4610	3.2167	2.6414	2.6414	2.0420	2.0943	2.0943
O3	1.2984	2.2670		3.4565	2.4206	2.6325	2.4541	3.1256	3.1256	3.6900	2.5914	2.5914
O4	2.2670	1.2984	3.4565		2.6325	2.4206	3.6900	2.5914	2.5914	2.4541	3.1256	3.1256
C5	1.4610	2.3522	2.4206	2.6325		3.6921	1.0835	1.0901	1.0901	4.3940	4.0173	4.0173
C6	2.3522	1.4610	2.6325	2.4206	3.6921		4.3940	4.0173	4.0173	1.0835	1.0901	1.0901
H7	2.0420	3.2167	2.4541	3.6900	1.0835	4.3940		1.8011	1.8011	5.2279	4.5753	4.5753
H8	2.0943	2.6414	3.1256	2.5914	1.0901	4.0173	1.8011		1.7661	4.5753	4.2313	4.5851
H9	2.0943	2.6414	3.1256	2.5914	1.0901	4.0173	1.8011	1.7661		4.5753	4.5851	4.2313
H10	3.2167	2.0420	3.6900	2.4541	4.3940	1.0835	5.2279	4.5753	4.5753		1.8011	1.8011
H11	2.6414	2.0943	2.5914	3.1256	4.0173	1.0901	4.5753	4.2313	4.5851	1.8011		1.7661
H12	2.6414	2.0943	2.5914	3.1256	4.0173	1.0901	4.5753	4.5851	4.2313	1.8011	1.7661

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O4	121.100	N1	N2	C6	116.387
N1	C5	H7	105.782	N1	C5	H8	109.495
N1	C5	H9	109.495	N2	N1	O3	121.100
N2	N1	C5	116.387	N2	C6	H10	105.782
N2	C6	H11	109.495	N2	C6	H12	109.495
O3	N1	C5	122.512	O4	N2	C6	122.512
H7	C5	H8	111.915	H7	C5	H9	111.915
H8	C5	H9	108.198	H10	C6	H11	111.915
H10	C6	H12	111.915	H11	C6	H12	108.198

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

using model chemistry: B1B95/6-31G

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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Number	Element	Mulliken
1	N	0.013
2	N	0.013
3	O	-0.409
4	O	-0.409
5	C	-0.256
6	C	-0.256
7	H	0.211
8	H	0.220
9	H	0.220
10	H	0.211
11	H	0.220
12	H	0.220

	x	y	z
x	7.449	-0.972	0.000
y	-0.972	8.615	0.000
z	0.000	0.000	3.903

<r²>	151.634
(<r²>)^1/2	12.314

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

using model chemistry: B1B95/6-31G

States and conformations

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