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	hartrees
Energy at 0K	-337.742093
Energy at 298.15K	-337.751584
Nuclear repulsion energy	263.544573

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3363	3055	0.00
2	A_g	3225	2930	0.00
3	A_g	1840	1672	0.00
4	A_g	1635	1486	0.00
5	A_g	1578	1434	0.00
6	A_g	1546	1405	0.00
7	A_g	1214	1103	0.00
8	A_g	874	794	0.00
9	A_g	681	619	0.00
10	A_g	452	410	0.00
11	A_u	3305	3003	11.17
12	A_u	1592	1446	24.28
13	A_u	1245	1131	0.03
14	A_u	400	363	12.56
15	A_u	210	190	19.90
16	A_u	123	112	2.76
17	B_g	3305	3002	0.00
18	B_g	1590	1445	0.00
19	B_g	1229	1117	0.00
20	B_g	639	580	0.00
21	B_g	156	141	0.00
22	B_u	3363	3055	1.03
23	B_u	3225	2930	15.80
24	B_u	1592	1446	2.76
25	B_u	1557	1414	2.25
26	B_u	1372	1246	310.70
27	B_u	1178	1070	435.45
28	B_u	1025	931	204.86
29	B_u	589	535	72.56
30	B_u	335	304	26.42

Atom	x (Å)	y (Å)	z (Å)
N1	-0.057	0.616	0.000
N2	0.057	-0.616	0.000
O3	-1.175	1.179	0.000
O4	1.175	-1.179	0.000
C5	1.175	1.410	0.000
C6	-1.175	-1.410	0.000
H7	0.852	2.435	0.000
H8	1.752	1.160	0.879
H9	1.752	1.160	-0.879
H10	-0.852	-2.435	0.000
H11	-1.752	-1.160	0.879
H12	-1.752	-1.160	-0.879

	N1	N2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
N1		1.2380	1.2513	2.1772	1.4652	2.3139	2.0334	2.0833	2.0833	3.1535	2.6078	2.6078
N2	1.2380		2.1772	1.2513	2.3139	1.4652	3.1535	2.6078	2.6078	2.0334	2.0833	2.0833
O3	1.2513	2.1772		3.3285	2.3610	2.5884	2.3846	3.0558	3.0558	3.6285	2.5643	2.5643
O4	2.1772	1.2513	3.3285		2.5884	2.3610	3.6285	2.5643	2.5643	2.3846	3.0558	3.0558
C5	1.4652	2.3139	2.3610	2.5884		3.6701	1.0754	1.0804	1.0804	4.3464	3.9927	3.9927
C6	2.3139	1.4652	2.5884	2.3610	3.6701		4.3464	3.9927	3.9927	1.0754	1.0804	1.0804
H7	2.0334	3.1535	2.3846	3.6285	1.0754	4.3464		1.7911	1.7911	5.1600	4.5253	4.5253
H8	2.0833	2.6078	3.0558	2.5643	1.0804	3.9927	1.7911		1.7574	4.5253	4.2024	4.5550
H9	2.0833	2.6078	3.0558	2.5643	1.0804	3.9927	1.7911	1.7574		4.5253	4.5550	4.2024
H10	3.1535	2.0334	3.6285	2.3846	4.3464	1.0754	5.1600	4.5253	4.5253		1.7911	1.7911
H11	2.6078	2.0833	2.5643	3.0558	3.9927	1.0804	4.5253	4.2024	4.5550	1.7911		1.7574
H12	2.6078	2.0833	2.5643	3.0558	3.9927	1.0804	4.5253	4.5550	4.2024	1.7911	1.7574

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O4	121.997	N1	N2	C6	117.489
N1	C5	H7	105.296	N1	C5	H8	108.906
N1	C5	H9	108.906	N2	N1	O3	121.997
N2	N1	C5	117.489	N2	C6	H10	105.296
N2	C6	H11	108.906	N2	C6	H12	108.906
O3	N1	C5	120.513	O4	N2	C6	120.513
H7	C5	H8	112.375	H7	C5	H9	112.375
H8	C5	H9	108.841	H10	C6	H11	112.375
H10	C6	H12	112.375	H11	C6	H12	108.841

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

using model chemistry: HF/6-311G**

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	0.162
2	N	0.162
3	O	-0.546
4	O	-0.546
5	C	-0.040
6	C	-0.040
7	H	0.140
8	H	0.142
9	H	0.142
10	H	0.140
11	H	0.142
12	H	0.142

	x	y	z
x	6.942	-0.785	0.000
y	-0.785	8.958	0.000
z	0.000	0.000	4.224

<r²>	146.572
(<r²>)^1/2	12.107

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

using model chemistry: HF/6-311G**

States and conformations

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