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	hartrees
Energy at 0K	-337.385691
Energy at 298.15K	-337.394648
HF Energy	-337.385691
Nuclear repulsion energy	255.733352

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3246	3127	0.00
2	A_g	3101	2988	0.00
3	A_g	1557	1500	0.00
4	A_g	1469	1415	0.00
5	A_g	1391	1340	0.00
6	A_g	1338	1289	0.00
7	A_g	1081	1041	0.00
8	A_g	742	715	0.00
9	A_g	612	590	0.00
10	A_g	383	369	0.00
11	A_u	3175	3058	3.44
12	A_u	1528	1472	33.94
13	A_u	1159	1116	1.02
14	A_u	295	284	1.76
15	A_u	207	200	15.00
16	A_u	137	132	3.13
17	B_g	3174	3057	0.00
18	B_g	1524	1468	0.00
19	B_g	1129	1087	0.00
20	B_g	490	472	0.00
21	B_g	170	163	0.00
22	B_u	3246	3127	0.68
23	B_u	3102	2988	5.72
24	B_u	1539	1483	17.87
25	B_u	1456	1402	21.66
26	B_u	1275	1228	102.85
27	B_u	1147	1104	41.58
28	B_u	926	892	45.92
29	B_u	487	470	32.11
30	B_u	298	287	29.11

Atom	x (Å)	y (Å)	z (Å)
N1	-0.054	0.660	0.000
N2	0.054	-0.660	0.000
O3	-1.235	1.242	0.000
O4	1.235	-1.242	0.000
C5	1.235	1.365	0.000
C6	-1.235	-1.365	0.000
H7	0.987	2.423	0.000
H8	1.802	1.071	0.886
H9	1.802	1.071	-0.886
H10	-0.987	-2.423	0.000
H11	-1.802	-1.071	0.886
H12	-1.802	-1.071	-0.886

	N1	N2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
N1		1.3240	1.3164	2.2976	1.4693	2.3439	2.0475	2.0978	2.0978	3.2206	2.6148	2.6148
N2	1.3240		2.2976	1.3164	2.3439	1.4693	3.2206	2.6148	2.6148	2.0475	2.0978	2.0978
O3	1.3164	2.2976		3.5030	2.4727	2.6072	2.5161	3.1683	3.1683	3.6732	2.5414	2.5414
O4	2.2976	1.3164	3.5030		2.6072	2.4727	3.6732	2.5414	2.5414	2.5161	3.1683	3.1683
C5	1.4693	2.3439	2.4727	2.6072		3.6813	1.0863	1.0924	1.0924	4.3913	3.9930	3.9930
C6	2.3439	1.4693	2.6072	2.4727	3.6813		4.3913	3.9930	3.9930	1.0863	1.0924	1.0924
H7	2.0475	3.2206	2.5161	3.6732	1.0863	4.3913		1.8099	1.8099	5.2322	4.5578	4.5578
H8	2.0978	2.6148	3.1683	2.5414	1.0924	3.9930	1.8099		1.7721	4.5578	4.1932	4.5523
H9	2.0978	2.6148	3.1683	2.5414	1.0924	3.9930	1.8099	1.7721		4.5578	4.5523	4.1932
H10	3.2206	2.0475	3.6732	2.5161	4.3913	1.0863	5.2322	4.5578	4.5578		1.8099	1.8099
H11	2.6148	2.0978	2.5414	3.1683	3.9930	1.0924	4.5578	4.1932	4.5523	1.8099		1.7721
H12	2.6148	2.0978	2.5414	3.1683	3.9930	1.0924	4.5578	4.5523	4.1932	1.8099	1.7721

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O4	120.950	N1	N2	C6	113.989
N1	C5	H7	105.507	N1	C5	H8	109.063
N1	C5	H9	109.063	N2	N1	O3	120.950
N2	N1	C5	113.989	N2	C6	H10	105.507
N2	C6	H11	109.063	N2	C6	H12	109.063
O3	N1	C5	125.061	O4	N2	C6	125.061
H7	C5	H8	112.350	H7	C5	H9	112.350
H8	C5	H9	108.404	H10	C6	H11	112.350
H10	C6	H12	112.350	H11	C6	H12	108.404

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

using model chemistry: HSEh1PBE/3-21G

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	-0.366
4	O	-0.366
5	C	-0.428
6	C	-0.428
7	H	0.260
8	H	0.271
9	H	0.271
10	H	0.260
11	H	0.271
12	H	0.271

	x	y	z
x	7.038	-0.756	0.000
y	-0.756	8.070	0.000
z	0.000	0.000	3.570

<r²>	152.232
(<r²>)^1/2	12.338

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

using model chemistry: HSEh1PBE/3-21G

States and conformations

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