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	hartrees
Energy at 0K	-339.523830
Energy at 298.15K	-339.532970
Nuclear repulsion energy	260.774958

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3241	3115	0.00
2	A_g	3084	2964	0.00
3	A_g	1623	1560	0.00
4	A_g	1459	1403	0.00
5	A_g	1430	1375	0.00
6	A_g	1376	1322	0.00
7	A_g	1089	1047	0.00
8	A_g	814	782	0.00
9	A_g	640	615	0.00
10	A_g	405	389	0.00
11	A_u	3172	3049	4.37
12	A_u	1426	1371	24.80
13	A_u	1110	1067	0.46
14	A_u	337	324	7.06
15	A_u	200	192	10.57
16	A_u	140	134	3.63
17	B_g	3171	3048	0.00
18	B_g	1423	1368	0.00
19	B_g	1084	1042	0.00
20	B_g	511	491	0.00
21	B_g	174	167	0.00
22	B_u	3242	3116	0.68
23	B_u	3084	2964	11.16
24	B_u	1464	1408	53.29
25	B_u	1408	1354	181.43
26	B_u	1367	1314	132.05
27	B_u	1160	1115	21.11
28	B_u	960	923	42.94
29	B_u	551	530	38.54
30	B_u	296	285	24.10

Atom	x (Å)	y (Å)	z (Å)
N1	-0.064	0.647	0.000
N2	0.064	-0.647	0.000
O3	-1.191	1.199	0.000
O4	1.191	-1.199	0.000
C5	1.191	1.391	0.000
C6	-1.191	-1.391	0.000
H7	0.907	2.445	0.000
H8	1.775	1.115	0.886
H9	1.775	1.115	-0.886
H10	-0.907	-2.445	0.000
H11	-1.775	-1.115	0.886
H12	-1.775	-1.115	-0.886

	N1	N2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
N1		1.3001	1.2549	2.2327	1.4598	2.3288	2.0438	2.0953	2.0953	3.2045	2.6112	2.6112
N2	1.3001		2.2327	1.2549	2.3288	1.4598	3.2045	2.6112	2.6112	2.0438	2.0953	2.0953
O3	1.2549	2.2327		3.3808	2.3901	2.5907	2.4404	3.0974	3.0974	3.6552	2.5465	2.5465
O4	2.2327	1.2549	3.3808		2.5907	2.3901	3.6552	2.5465	2.5465	2.4404	3.0974	3.0974
C5	1.4598	2.3288	2.3901	2.5907		3.6631	1.0910	1.0970	1.0970	4.3726	3.9836	3.9836
C6	2.3288	1.4598	2.5907	2.3901	3.6631		4.3726	3.9836	3.9836	1.0910	1.0970	1.0970
H7	2.0438	3.2045	2.4404	3.6552	1.0910	4.3726		1.8185	1.8185	5.2155	4.5450	4.5450
H8	2.0953	2.6112	3.0974	2.5465	1.0970	3.9836	1.8185		1.7729	4.5450	4.1933	4.5527
H9	2.0953	2.6112	3.0974	2.5465	1.0970	3.9836	1.8185	1.7729		4.5450	4.5527	4.1933
H10	3.2045	2.0438	3.6552	2.4404	4.3726	1.0910	5.2155	4.5450	4.5450		1.8185	1.8185
H11	2.6112	2.0953	2.5465	3.0974	3.9836	1.0970	4.5450	4.1933	4.5527	1.8185		1.7729
H12	2.6112	2.0953	2.5465	3.0974	3.9836	1.0970	4.5450	4.5527	4.1933	1.8185	1.7729

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O4	121.813	N1	N2	C6	114.972
N1	C5	H7	105.589	N1	C5	H8	109.256
N1	C5	H9	109.256	N2	N1	O3	121.813
N2	N1	C5	114.972	N2	C6	H10	105.589
N2	C6	H11	109.256	N2	C6	H12	109.256
O3	N1	C5	123.214	O4	N2	C6	123.214
H7	C5	H8	112.427	H7	C5	H9	112.427
H8	C5	H9	107.820	H10	C6	H11	112.427
H10	C6	H12	112.427	H11	C6	H12	107.820

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

using model chemistry: B1B95/cc-pVDZ

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	0.066
2	N	0.066
3	O	-0.366
4	O	-0.366
5	C	0.090
6	C	0.090
7	H	0.063
8	H	0.073
9	H	0.073
10	H	0.063
11	H	0.073
12	H	0.073

	x	y	z
x	7.662	-0.429	0.000
y	-0.429	8.901	0.000
z	0.000	0.000	4.299

<r²>	148.202
(<r²>)^1/2	12.174

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

using model chemistry: B1B95/cc-pVDZ

States and conformations

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