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	hartrees
Energy at 0K	-339.524674
Energy at 298.15K	-339.533781
Nuclear repulsion energy	261.155729

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3229	3093	0.00
2	A_g	3082	2952	0.00
3	A_g	1623	1554	0.00
4	A_g	1462	1400	0.00
5	A_g	1452	1390	0.00
6	A_g	1396	1337	0.00
7	A_g	1100	1053	0.00
8	A_g	810	776	0.00
9	A_g	638	611	0.00
10	A_g	401	384	0.00
11	A_u	3164	3030	3.92
12	A_u	1453	1391	22.47
13	A_u	1127	1079	0.06
14	A_u	343	329	5.63
15	A_u	200	192	10.77
16	A_u	127	122	3.48
17	B_g	3164	3030	0.00
18	B_g	1450	1388	0.00
19	B_g	1101	1055	0.00
20	B_g	522	500	0.00
21	B_g	164	157	0.00
22	B_u	3230	3093	0.62
23	B_u	3082	2952	9.35
24	B_u	1483	1420	23.56
25	B_u	1424	1364	150.79
26	B_u	1380	1322	196.93
27	B_u	1165	1115	25.99
28	B_u	966	925	39.19
29	B_u	545	522	37.92
30	B_u	294	282	23.98

Atom	x (Å)	y (Å)	z (Å)
N1	-0.064	0.645	0.000
N2	0.064	-0.645	0.000
O3	-1.190	1.199	0.000
O4	1.190	-1.199	0.000
C5	1.190	1.390	0.000
C6	-1.190	-1.390	0.000
H7	0.908	2.438	0.000
H8	1.771	1.117	0.882
H9	1.771	1.117	-0.882
H10	-0.908	-2.438	0.000
H11	-1.771	-1.117	0.882
H12	-1.771	-1.117	-0.882

	N1	N2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
N1		1.2968	1.2543	2.2302	1.4588	2.3260	2.0395	2.0898	2.0898	3.1965	2.6067	2.6067
N2	1.2968		2.2302	1.2543	2.3260	1.4588	3.1965	2.6067	2.6067	2.0395	2.0898	2.0898
O3	1.2543	2.2302		3.3782	2.3874	2.5892	2.4364	3.0901	3.0901	3.6478	2.5453	2.5453
O4	2.2302	1.2543	3.3782		2.5892	2.3874	3.6478	2.5453	2.5453	2.4364	3.0901	3.0901
C5	1.4588	2.3260	2.3874	2.5892		3.6599	1.0849	1.0906	1.0906	4.3654	3.9786	3.9786
C6	2.3260	1.4588	2.5892	2.3874	3.6599		4.3654	3.9786	3.9786	1.0849	1.0906	1.0906
H7	2.0395	3.1965	2.4364	3.6478	1.0849	4.3654		1.8073	1.8073	5.2032	4.5378	4.5378
H8	2.0898	2.6067	3.0901	2.5453	1.0906	3.9786	1.8073		1.7635	4.5378	4.1872	4.5434
H9	2.0898	2.6067	3.0901	2.5453	1.0906	3.9786	1.8073	1.7635		4.5378	4.5434	4.1872
H10	3.1965	2.0395	3.6478	2.4364	4.3654	1.0849	5.2032	4.5378	4.5378		1.8073	1.8073
H11	2.6067	2.0898	2.5453	3.0901	3.9786	1.0906	4.5378	4.1872	4.5434	1.8073		1.7635
H12	2.6067	2.0898	2.5453	3.0901	3.9786	1.0906	4.5378	4.5434	4.1872	1.8073	1.7635

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O4	121.891	N1	N2	C6	115.018
N1	C5	H7	105.656	N1	C5	H8	109.262
N1	C5	H9	109.262	N2	N1	O3	121.891
N2	N1	C5	115.018	N2	C6	H10	105.656
N2	C6	H11	109.262	N2	C6	H12	109.262
O3	N1	C5	123.091	O4	N2	C6	123.091
H7	C5	H8	112.350	H7	C5	H9	112.350
H8	C5	H9	107.896	H10	C6	H11	112.350
H10	C6	H12	112.350	H11	C6	H12	107.896

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

using model chemistry: B1B95/6-31G(2df,p)

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	0.302
2	N	0.302
3	O	-0.504
4	O	-0.504
5	C	-0.331
6	C	-0.331
7	H	0.174
8	H	0.180
9	H	0.180
10	H	0.174
11	H	0.180
12	H	0.180

	x	y	z
x	7.738	-0.412	0.000
y	-0.412	9.075	0.000
z	0.000	0.000	4.671

<r²>	147.703
(<r²>)^1/2	12.153

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

using model chemistry: B1B95/6-31G(2df,p)

States and conformations

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