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	hartrees
Energy at 0K	-339.671238
Energy at 298.15K	-339.680150
HF Energy	-339.671238
Nuclear repulsion energy	258.955785

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3206	3094	0.00
2	A_g	3066	2959	0.00
3	A_g	1571	1516	0.00
4	A_g	1468	1416	0.00
5	A_g	1427	1377	0.00
6	A_g	1381	1332	0.00
7	A_g	1101	1063	0.00
8	A_g	779	752	0.00
9	A_g	617	595	0.00
10	A_g	389	375	0.00
11	A_u	3144	3034	8.67
12	A_u	1472	1421	18.67
13	A_u	1130	1091	0.04
14	A_u	329	317	4.50
15	A_u	191	185	11.13
16	A_u	106	103	2.73
17	B_g	3143	3033	0.00
18	B_g	1469	1418	0.00
19	B_g	1101	1062	0.00
20	B_g	483	466	0.00
21	B_g	144	139	0.00
22	B_u	3207	3094	1.56
23	B_u	3066	2959	12.95
24	B_u	1492	1440	0.81
25	B_u	1427	1377	47.62
26	B_u	1361	1314	258.75
27	B_u	1152	1111	42.82
28	B_u	944	911	31.81
29	B_u	529	510	36.22
30	B_u	283	273	22.71

Atom	x (Å)	y (Å)	z (Å)
N1	-0.064	0.653	0.000
N2	0.064	-0.653	0.000
O3	-1.193	1.238	0.000
O4	1.193	-1.238	0.000
C5	1.193	1.399	0.000
C6	-1.193	-1.399	0.000
H7	0.898	2.447	0.000
H8	1.776	1.146	0.890
H9	1.776	1.146	-0.890
H10	-0.898	-2.447	0.000
H11	-1.776	-1.146	0.890
H12	-1.776	-1.146	-0.890

	N1	N2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
N1		1.3117	1.2719	2.2701	1.4620	2.3422	2.0355	2.1026	2.1026	3.2096	2.6380	2.6380
N2	1.3117		2.2701	1.2719	2.3422	1.4620	3.2096	2.6380	2.6380	2.0355	2.1026	2.1026
O3	1.2719	2.2701		3.4383	2.3920	2.6368	2.4158	3.1013	3.1013	3.6959	2.6101	2.6101
O4	2.2701	1.2719	3.4383		2.6368	2.3920	3.6959	2.6101	2.6101	2.4158	3.1013	3.1013
C5	1.4620	2.3422	2.3920	2.6368		3.6778	1.0880	1.0936	1.0936	4.3777	4.0108	4.0108
C6	2.3422	1.4620	2.6368	2.3920	3.6778		4.3777	4.0108	4.0108	1.0880	1.0936	1.0936
H7	2.0355	3.2096	2.4158	3.6959	1.0880	4.3777		1.8040	1.8040	5.2124	4.5662	4.5662
H8	2.1026	2.6380	3.1013	2.6101	1.0936	4.0108	1.8040		1.7799	4.5662	4.2274	4.5868
H9	2.1026	2.6380	3.1013	2.6101	1.0936	4.0108	1.8040	1.7799		4.5662	4.5868	4.2274
H10	3.2096	2.0355	3.6959	2.4158	4.3777	1.0880	5.2124	4.5662	4.5662		1.8040	1.8040
H11	2.6380	2.1026	2.6101	3.1013	4.0108	1.0936	4.5662	4.2274	4.5868	1.8040		1.7799
H12	2.6380	2.1026	2.6101	3.1013	4.0108	1.0936	4.5662	4.5868	4.2274	1.8040	1.7799

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O4	122.963	N1	N2	C6	115.117
N1	C5	H7	104.973	N1	C5	H8	109.879
N1	C5	H9	109.879	N2	N1	O3	122.963
N2	N1	C5	115.117	N2	C6	H10	104.973
N2	C6	H11	109.879	N2	C6	H12	109.879
O3	N1	C5	121.920	O4	N2	C6	121.920
H7	C5	H8	111.559	H7	C5	H9	111.559
H8	C5	H9	108.933	H10	C6	H11	111.559
H10	C6	H12	111.559	H11	C6	H12	108.933

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

using model chemistry: TPSSh/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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All results from a given calculation for C2H6N2O2 ((E)-Azodioxymethane)

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

States and conformations

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