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	hartrees
Energy at 0K	-339.667407
Energy at 298.15K	-339.676308
HF Energy	-339.667407
Nuclear repulsion energy	258.130407

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3221	3100	0.00
2	A_g	3079	2963	0.00
3	A_g	1562	1504	0.00
4	A_g	1472	1416	0.00
5	A_g	1434	1380	0.00
6	A_g	1394	1342	0.00
7	A_g	1108	1066	0.00
8	A_g	779	750	0.00
9	A_g	612	589	0.00
10	A_g	393	378	0.00
11	A_u	3158	3039	9.17
12	A_u	1483	1428	24.36
13	A_u	1132	1089	0.13
14	A_u	319	307	4.84
15	A_u	184	177	12.63
16	A_u	110	106	4.41
17	B_g	3157	3039	0.00
18	B_g	1481	1425	0.00
19	B_g	1104	1062	0.00
20	B_g	481	463	0.00
21	B_g	146	141	0.00
22	B_u	3222	3101	0.74
23	B_u	3079	2963	13.37
24	B_u	1496	1440	0.77
25	B_u	1439	1385	19.64
26	B_u	1343	1292	359.97
27	B_u	1152	1109	67.38
28	B_u	949	914	37.09
29	B_u	532	512	35.30
30	B_u	284	273	23.81

Atom	x (Å)	y (Å)	z (Å)
N1	-0.061	0.654	0.000
N2	0.061	-0.654	0.000
O3	-1.195	1.244	0.000
O4	1.195	-1.244	0.000
C5	1.195	1.402	0.000
C6	-1.195	-1.402	0.000
H7	0.897	2.448	0.000
H8	1.776	1.147	0.891
H9	1.776	1.147	-0.891
H10	-0.897	-2.448	0.000
H11	-1.776	-1.147	0.891
H12	-1.776	-1.147	-0.891

	N1	N2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
N1		1.3131	1.2783	2.2761	1.4630	2.3480	2.0344	2.1005	2.1005	3.2123	2.6411	2.6411
N2	1.3131		2.2761	1.2783	2.3480	1.4630	3.2123	2.6411	2.6411	2.0344	2.1005	2.1005
O3	1.2783	2.2761		3.4504	2.3959	2.6464	2.4141	3.1032	3.1032	3.7041	2.6169	2.6169
O4	2.2761	1.2783	3.4504		2.6464	2.3959	3.7041	2.6169	2.6169	2.4141	3.1032	3.1032
C5	1.4630	2.3480	2.3959	2.6464		3.6855	1.0874	1.0932	1.0932	4.3823	4.0152	4.0152
C6	2.3480	1.4630	2.6464	2.3959	3.6855		4.3823	4.0152	4.0152	1.0874	1.0932	1.0932
H7	2.0344	3.2123	2.4141	3.7041	1.0874	4.3823		1.8048	1.8048	5.2145	4.5676	4.5676
H8	2.1005	2.6411	3.1032	2.6169	1.0932	4.0152	1.8048		1.7813	4.5676	4.2282	4.5881
H9	2.1005	2.6411	3.1032	2.6169	1.0932	4.0152	1.8048	1.7813		4.5676	4.5881	4.2282
H10	3.2123	2.0344	3.7041	2.4141	4.3823	1.0874	5.2145	4.5676	4.5676		1.8048	1.8048
H11	2.6411	2.1005	2.6169	3.1032	4.0152	1.0932	4.5676	4.2282	4.5881	1.8048		1.7813
H12	2.6411	2.1005	2.6169	3.1032	4.0152	1.0932	4.5676	4.5881	4.2282	1.8048	1.7813

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O4	122.874	N1	N2	C6	115.413
N1	C5	H7	104.860	N1	C5	H8	109.669
N1	C5	H9	109.669	N2	N1	O3	122.874
N2	N1	C5	115.413	N2	C6	H10	104.860
N2	C6	H11	109.669	N2	C6	H12	109.669
O3	N1	C5	121.712	O4	N2	C6	121.712
H7	C5	H8	111.720	H7	C5	H9	111.720
H8	C5	H9	109.118	H10	C6	H11	111.720
H10	C6	H12	111.720	H11	C6	H12	109.118

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

using model chemistry: TPSSh/6-31+G**

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	0.008
2	N	0.008
3	O	-0.213
4	O	-0.213
5	C	-0.382
6	C	-0.382
7	H	0.192
8	H	0.198
9	H	0.198
10	H	0.192
11	H	0.198
12	H	0.198

	x	y	z
x	8.832	-0.901	0.000
y	-0.901	10.181	0.000
z	0.000	0.000	5.373

<r²>	151.577
(<r²>)^1/2	12.312

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

using model chemistry: TPSSh/6-31+G**

States and conformations

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