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	hartrees
Energy at 0K	-337.966128
Energy at 298.15K	-337.975051
Nuclear repulsion energy	260.760889

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3148	3112	0.00
2	A_g	2989	2956	0.00
3	A_g	1573	1555	0.00
4	A_g	1417	1401	0.00
5	A_g	1366	1351	0.00
6	A_g	1318	1303	0.00
7	A_g	1049	1037	0.00
8	A_g	802	793	0.00
9	A_g	629	622	0.00
10	A_g	395	391	0.00
11	A_u	3066	3031	1.76
12	A_u	1357	1342	34.99
13	A_u	1065	1052	0.89
14	A_u	316	312	6.32
15	A_u	191	189	12.29
16	A_u	107	106	2.47
17	B_g	3066	3032	0.00
18	B_g	1354	1338	0.00
19	B_g	1044	1032	0.00
20	B_g	509	504	0.00
21	B_g	140	139	0.00
22	B_u	3148	3113	2.37
23	B_u	2990	2956	5.24
24	B_u	1444	1428	229.75
25	B_u	1364	1349	139.00
26	B_u	1320	1305	36.95
27	B_u	1148	1135	0.93
28	B_u	945	934	33.48
29	B_u	541	535	30.34
30	B_u	287	283	24.19

Atom	x (Å)	y (Å)	z (Å)
N1	-0.061	0.653	0.000
N2	0.061	-0.653	0.000
O3	-1.189	1.206	0.000
O4	1.189	-1.206	0.000
C5	1.189	1.379	0.000
C6	-1.189	-1.379	0.000
H7	0.918	2.445	0.000
H8	1.781	1.092	0.890
H9	1.781	1.092	-0.890
H10	-0.918	-2.445	0.000
H11	-1.781	-1.092	0.890
H12	-1.781	-1.092	-0.890

	N1	N2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
N1		1.3126	1.2564	2.2404	1.4451	2.3250	2.0416	2.0919	2.0919	3.2152	2.6074	2.6074
N2	1.3126		2.2404	1.2564	2.3250	1.4451	3.2152	2.6074	2.6074	2.0416	2.0919	2.0919
O3	1.2564	2.2404		3.3873	2.3843	2.5854	2.4444	3.1027	3.1027	3.6614	2.5345	2.5345
O4	2.2404	1.2564	3.3873		2.5854	2.3843	3.6614	2.5345	2.5345	2.4444	3.1027	3.1027
C5	1.4451	2.3250	2.3843	2.5854		3.6421	1.0999	1.1071	1.1071	4.3666	3.9649	3.9649
C6	2.3250	1.4451	2.5854	2.3843	3.6421		4.3666	3.9649	3.9649	1.0999	1.1071	1.1071
H7	2.0416	3.2152	2.4444	3.6614	1.0999	4.3666		1.8355	1.8355	5.2238	4.5375	4.5375
H8	2.0919	2.6074	3.1027	2.5345	1.1071	3.9649	1.8355		1.7805	4.5375	4.1781	4.5417
H9	2.0919	2.6074	3.1027	2.5345	1.1071	3.9649	1.8355	1.7805		4.5375	4.5417	4.1781
H10	3.2152	2.0416	3.6614	2.4444	4.3666	1.0999	5.2238	4.5375	4.5375		1.8355	1.8355
H11	2.6074	2.0919	2.5345	3.1027	3.9649	1.1071	4.5375	4.1781	4.5417	1.8355		1.7805
H12	2.6074	2.0919	2.5345	3.1027	3.9649	1.1071	4.5375	4.5417	4.1781	1.8355	1.7805

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O4	121.391	N1	N2	C6	114.850
N1	C5	H7	105.883	N1	C5	H8	109.390
N1	C5	H9	109.390	N2	N1	O3	121.391
N2	N1	C5	114.850	N2	C6	H10	105.883
N2	C6	H11	109.390	N2	C6	H12	109.390
O3	N1	C5	123.759	O4	N2	C6	123.759
H7	C5	H8	112.543	H7	C5	H9	112.543
H8	C5	H9	107.059	H10	C6	H11	112.543
H10	C6	H12	112.543	H11	C6	H12	107.059

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

using model chemistry: LSDA/aug-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	0.290
2	N	0.290
3	O	-0.699
4	O	-0.699
5	C	0.927
6	C	0.927
7	H	-0.295
8	H	-0.111
9	H	-0.111
10	H	-0.295
11	H	-0.111
12	H	-0.111

	x	y	z
x	9.685	-0.414	0.000
y	-0.414	10.883	0.000
z	0.000	0.000	6.210

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/aug-cc-pVDZ

States and conformations

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