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	hartrees
Energy at 0K	-339.525036
Energy at 298.15K	-339.534028
Nuclear repulsion energy	259.525690

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3229	3100	0.00
2	A_g	3082	2959	0.00
3	A_g	1598	1534	0.00
4	A_g	1460	1402	0.00
5	A_g	1449	1391	0.00
6	A_g	1406	1350	0.00
7	A_g	1107	1063	0.00
8	A_g	803	771	0.00
9	A_g	629	604	0.00
10	A_g	408	392	0.00
11	A_u	3164	3038	4.84
12	A_u	1463	1404	29.25
13	A_u	1125	1080	0.06
14	A_u	330	317	5.40
15	A_u	186	179	13.11
16	A_u	105	101	4.45
17	B_g	3164	3037	0.00
18	B_g	1460	1402	0.00
19	B_g	1100	1056	0.00
20	B_g	509	488	0.00
21	B_g	145	139	0.00
22	B_u	3230	3101	0.74
23	B_u	3082	2959	10.82
24	B_u	1480	1421	3.32
25	B_u	1431	1374	68.86
26	B_u	1370	1315	381.44
27	B_u	1159	1113	42.48
28	B_u	967	928	40.49
29	B_u	550	528	36.58
30	B_u	295	283	24.66

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.651	0.000
N2	0.000	-0.651	0.000
O3	-1.078	1.315	0.000
O4	1.078	-1.315	0.000
C5	1.315	1.294	0.000
C6	-1.315	-1.294	0.000
H7	1.119	2.363	0.000
H8	1.873	0.980	0.886
H9	1.873	0.980	-0.886
H10	-1.119	-2.363	0.000
H11	-1.873	-0.980	0.886
H12	-1.873	-0.980	-0.886

	N1	N2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
N1		1.3024	1.2655	2.2418	1.4638	2.3479	2.0448	2.0975	2.0975	3.2149	2.6365	2.6365
N2	1.3024		2.2418	1.2655	2.3479	1.4638	3.2149	2.6365	2.6365	2.0448	2.0975	2.0975
O3	1.2655	2.2418		3.3998	2.3930	2.6192	2.4336	3.0987	3.0987	3.6777	2.5845	2.5845
O4	2.2418	1.2655	3.3998		2.6192	2.3930	3.6777	2.5845	2.5845	2.4336	3.0987	3.0987
C5	1.4638	2.3479	2.3930	2.6192		3.6898	1.0870	1.0926	1.0926	4.3926	4.0145	4.0145
C6	2.3479	1.4638	2.6192	2.3930	3.6898		4.3926	4.0145	4.0145	1.0870	1.0926	1.0926
H7	2.0448	3.2149	2.4336	3.6777	1.0870	4.3926		1.8073	1.8073	5.2285	4.5722	4.5722
H8	2.0975	2.6365	3.0987	2.5845	1.0926	4.0145	1.8073		1.7710	4.5722	4.2271	4.5831
H9	2.0975	2.6365	3.0987	2.5845	1.0926	4.0145	1.8073	1.7710		4.5722	4.5831	4.2271
H10	3.2149	2.0448	3.6777	2.4336	4.3926	1.0870	5.2285	4.5722	4.5722		1.8073	1.8073
H11	2.6365	2.0975	2.5845	3.0987	4.0145	1.0926	4.5722	4.2271	4.5831	1.8073		1.7710
H12	2.6365	2.0975	2.5845	3.0987	4.0145	1.0926	4.5722	4.5831	4.2271	1.8073	1.7710

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O4	121.618	N1	N2	C6	116.040
N1	C5	H7	105.618	N1	C5	H8	109.408
N1	C5	H9	109.408	N2	N1	O3	121.618
N2	N1	C5	116.040	N2	C6	H10	105.618
N2	C6	H11	109.408	N2	C6	H12	109.408
O3	N1	C5	122.343	O4	N2	C6	122.343
H7	C5	H8	112.034	H7	C5	H9	112.034
H8	C5	H9	108.282	H10	C6	H11	112.034
H10	C6	H12	112.034	H11	C6	H12	108.282

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

using model chemistry: B3PW91/6-31+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	0.030
2	N	0.030
3	O	-0.240
4	O	-0.240
5	C	-0.397
6	C	-0.397
7	H	0.199
8	H	0.204
9	H	0.204
10	H	0.199
11	H	0.204
12	H	0.204

	x	y	z
x	8.629	-0.920	0.000
y	-0.920	10.053	0.000
z	0.000	0.000	5.305

<r²>	150.227
(<r²>)^1/2	12.257

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

using model chemistry: B3PW91/6-31+G**

States and conformations

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