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	hartrees
Energy at 0K	-64.882679
Energy at 298.15K	-64.891937
Nuclear repulsion energy	143.542441

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3377	3081	0.00
2	A_g	3212	2931	0.00
3	A_g	1778	1622	0.00
4	A_g	1615	1474	0.00
5	A_g	1561	1425	0.00
6	A_g	1490	1359	0.00
7	A_g	1197	1092	0.00
8	A_g	779	711	0.00
9	A_g	630	575	0.00
10	A_g	417	380	0.00
11	A_u	3317	3027	14.41
12	A_u	1604	1463	33.73
13	A_u	1265	1154	0.10
14	A_u	358	326	5.78
15	A_u	205	187	29.35
16	A_u	126	115	2.19
17	B_g	3316	3026	0.00
18	B_g	1602	1462	0.00
19	B_g	1244	1135	0.00
20	B_g	620	566	0.00
21	B_g	147	134	0.00
22	B_u	3377	3081	1.22
23	B_u	3212	2931	15.18
24	B_u	1609	1469	16.97
25	B_u	1572	1434	1.43
26	B_u	1335	1218	38.81
27	B_u	1105	1009	204.92
28	B_u	930	849	318.71
29	B_u	527	481	63.18
30	B_u	311	284	28.80

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.629	0.000
N2	0.000	-0.629	0.000
O3	-1.139	1.316	0.000
O4	1.139	-1.316	0.000
C5	1.291	1.351	0.000
C6	-1.291	-1.351	0.000
H7	1.036	2.395	0.000
H8	1.853	1.067	0.879
H9	1.853	1.067	-0.879
H10	-1.036	-2.395	0.000
H11	-1.853	-1.067	0.879
H12	-1.853	-1.067	-0.879

	N1	N2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
N1		1.2587	1.3298	2.2541	1.4789	2.3638	2.0475	2.0968	2.0968	3.1972	2.6614	2.6614
N2	1.2587		2.2541	1.3298	2.3638	1.4789	3.1972	2.6614	2.6614	2.0475	2.0968	2.0968
O3	1.3298	2.2541		3.4806	2.4303	2.6709	2.4282	3.1280	3.1280	3.7125	2.6383	2.6383
O4	2.2541	1.3298	3.4806		2.6709	2.4303	3.7125	2.6383	2.6383	2.4282	3.1280	3.1280
C5	1.4789	2.3638	2.4303	2.6709		3.7370	1.0752	1.0808	1.0808	4.4100	4.0623	4.0623
C6	2.3638	1.4789	2.6709	2.4303	3.7370		4.4100	4.0623	4.0623	1.0752	1.0808	1.0808
H7	2.0475	3.1972	2.4282	3.7125	1.0752	4.4100		1.7896	1.7896	5.2195	4.5942	4.5942
H8	2.0968	2.6614	3.1280	2.6383	1.0808	4.0623	1.7896		1.7574	4.5942	4.2763	4.6234
H9	2.0968	2.6614	3.1280	2.6383	1.0808	4.0623	1.7896	1.7574		4.5942	4.6234	4.2763
H10	3.1972	2.0475	3.7125	2.4282	4.4100	1.0752	5.2195	4.5942	4.5942		1.7896	1.7896
H11	2.6614	2.0968	2.6383	3.1280	4.0623	1.0808	4.5942	4.2763	4.6234	1.7896		1.7574
H12	2.6614	2.0968	2.6383	3.1280	4.0623	1.0808	4.5942	4.6234	4.2763	1.7896	1.7574

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O4	121.080	N1	N2	C6	119.193
N1	C5	H7	105.482	N1	C5	H8	109.014
N1	C5	H9	109.014	N2	N1	O3	121.080
N2	N1	C5	119.193	N2	C6	H10	105.482
N2	C6	H11	109.014	N2	C6	H12	109.014
O3	N1	C5	119.727	O4	N2	C6	119.727
H7	C5	H8	112.215	H7	C5	H9	112.215
H8	C5	H9	108.782	H10	C6	H11	112.215
H10	C6	H12	112.215	H11	C6	H12	108.782

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

using model chemistry: HF/CEP-121G

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	0.157
2	N	0.157
3	O	-0.458
4	O	-0.458
5	C	-0.331
6	C	-0.331
7	H	0.209
8	H	0.211
9	H	0.211
10	H	0.209
11	H	0.211
12	H	0.211

	x	y	z
x	7.960	-1.638	0.000
y	-1.638	8.715	0.000
z	0.000	0.000	4.192

<r²>	126.218
(<r²>)^1/2	11.235

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

using model chemistry: HF/CEP-121G

States and conformations

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