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	hartrees
Energy at 0K	-335.739898
Energy at 298.15K	-335.749088
Nuclear repulsion energy	257.159092

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3394	3073	0.00
2	A_g	3257	2950	0.00
3	A_g	1693	1533	0.00
4	A_g	1637	1482	0.00
5	A_g	1560	1413	0.00
6	A_g	1421	1287	0.00
7	A_g	1156	1047	0.00
8	A_g	733	664	0.00
9	A_g	624	565	0.00
10	A_g	399	362	0.00
11	A_u	3331	3017	1.49
12	A_u	1646	1491	28.01
13	A_u	1272	1152	0.14
14	A_u	336	304	3.24
15	A_u	221	200	26.55
16	A_u	149	135	2.22
17	B_g	3330	3016	0.00
18	B_g	1644	1488	0.00
19	B_g	1248	1130	0.00
20	B_g	630	571	0.00
21	B_g	171	155	0.00
22	B_u	3393	3073	1.92
23	B_u	3257	2950	7.17
24	B_u	1640	1485	21.59
25	B_u	1584	1435	4.43
26	B_u	1312	1188	12.38
27	B_u	1069	968	90.88
28	B_u	825	747	294.45
29	B_u	457	414	54.07
30	B_u	323	292	29.33

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.622	0.000
N2	0.000	-0.622	0.000
O3	-1.154	1.314	0.000
O4	1.154	-1.314	0.000
C5	1.312	1.291	0.000
C6	-1.312	-1.291	0.000
H7	1.096	2.342	0.000
H8	1.856	0.980	0.877
H9	1.856	0.980	-0.877
H10	-1.096	-2.342	0.000
H11	-1.856	-0.980	0.877
H12	-1.856	-0.980	-0.877

	N1	N2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
N1		1.2431	1.3456	2.2532	1.4732	2.3195	2.0399	2.0842	2.0842	3.1597	2.6037	2.6037
N2	1.2431		2.2532	1.3456	2.3195	1.4732	3.1597	2.6037	2.6037	2.0399	2.0842	2.0842
O3	1.3456	2.2532		3.4971	2.4663	2.6095	2.4740	3.1532	3.1532	3.6560	2.5539	2.5539
O4	2.2532	1.3456	3.4971		2.6095	2.4663	3.6560	2.5539	2.5539	2.4740	3.1532	3.1532
C5	1.4732	2.3195	2.4663	2.6095		3.6817	1.0727	1.0783	1.0783	4.3588	3.9956	3.9956
C6	2.3195	1.4732	2.6095	2.4663	3.6817		4.3588	3.9956	3.9956	1.0727	1.0783	1.0783
H7	2.0399	3.1597	2.4740	3.6560	1.0727	4.3588		1.7897	1.7897	5.1715	4.5299	4.5299
H8	2.0842	2.6037	3.1532	2.5539	1.0783	3.9956	1.7897		1.7549	4.5299	4.1978	4.5498
H9	2.0842	2.6037	3.1532	2.5539	1.0783	3.9956	1.7897	1.7549		4.5299	4.5498	4.1978
H10	3.1597	2.0399	3.6560	2.4740	4.3588	1.0727	5.1715	4.5299	4.5299		1.7897	1.7897
H11	2.6037	2.0842	2.5539	3.1532	3.9956	1.0783	4.5299	4.1978	4.5498	1.7897		1.7549
H12	2.6037	2.0842	2.5539	3.1532	3.9956	1.0783	4.5299	4.5498	4.1978	1.7897	1.7549

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O4	120.955	N1	N2	C6	117.031
N1	C5	H7	105.420	N1	C5	H8	108.550
N1	C5	H9	108.550	N2	N1	O3	120.955
N2	N1	C5	117.031	N2	C6	H10	105.420
N2	C6	H11	108.550	N2	C6	H12	108.550
O3	N1	C5	122.014	O4	N2	C6	122.014
H7	C5	H8	112.607	H7	C5	H9	112.607
H8	C5	H9	108.917	H10	C6	H11	112.607
H10	C6	H12	112.607	H11	C6	H12	108.917

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

using model chemistry: HF/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	CHELPG	ESP
1	N	-0.025	-0.581	0.339
2	N	-0.025	0.390	0.334
3	O	-0.449	-0.581	-0.517
4	O	-0.449	0.391	-0.516
5	C	-0.343	0.108	-0.355
6	C	-0.343	0.118	-0.353
7	H	0.266	0.108	0.177
8	H	0.275	-0.143	0.179
9	H	0.275	0.108	0.179
10	H	0.266	0.118	0.178
11	H	0.275	0.108	0.178
12	H	0.275	-0.143	0.178

	x	y	z
x	6.295	-0.874	0.000
y	-0.874	8.242	0.000
z	0.000	0.000	3.383

<r²>	151.394
(<r²>)^1/2	12.304

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

using model chemistry: HF/3-21G

States and conformations

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