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	hartrees
Energy at 0K	-338.706238
Energy at 298.15K	-338.715189
HF Energy	-337.663062
Nuclear repulsion energy	257.600540

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3267	3111	0.00
2	A_g	3108	2960	0.00
3	A_g	1624	1547	0.00
4	A_g	1471	1401	0.00
5	A_g	1411	1344	0.00
6	A_g	1289	1228	0.00
7	A_g	1101	1049	0.00
8	A_g	728	693	0.00
9	A_g	616	587	0.00
10	A_g	400	381	0.00
11	A_u	3208	3056	7.97
12	A_u	1464	1394	21.83
13	A_u	1123	1069	0.01
14	A_u	301	287	5.61
15	A_u	187	178	6.67
16	A_u	127	121	5.02
17	B_g	3208	3055	0.00
18	B_g	1462	1392	0.00
19	B_g	1093	1041	0.00
20	B_g	424	403	0.00
21	B_g	172	163	0.00
22	B_u	3267	3112	0.51
23	B_u	3109	2961	10.97
24	B_u	1685	1605	132.06
25	B_u	1474	1404	24.79
26	B_u	1413	1346	4.29
27	B_u	1185	1129	1.23
28	B_u	982	936	4.31
29	B_u	554	528	47.16
30	B_u	295	281	27.23

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.682	0.000
N2	0.000	-0.682	0.000
O3	-1.066	1.344	0.000
O4	1.066	-1.344	0.000
C5	1.344	1.271	0.000
C6	-1.344	-1.271	0.000
H7	1.187	2.355	0.000
H8	1.892	0.931	0.892
H9	1.892	0.931	-0.892
H10	-1.187	-2.355	0.000
H11	-1.892	-0.931	0.892
H12	-1.892	-0.931	-0.892

	N1	N2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
N1		1.3637	1.2548	2.2890	1.4670	2.3702	2.0511	2.1060	2.1060	3.2603	2.6409	2.6409
N2	1.3637		2.2890	1.2548	2.3702	1.4670	3.2603	2.6409	2.6409	2.0511	2.1060	2.1060
O3	1.2548	2.2890		3.4305	2.4107	2.6292	2.4691	3.1164	3.1164	3.7006	2.5790	2.5790
O4	2.2890	1.2548	3.4305		2.6292	2.4107	3.7006	2.5790	2.5790	2.4691	3.1164	3.1164
C5	1.4670	2.3702	2.4107	2.6292		3.6987	1.0955	1.1003	1.1003	4.4212	4.0136	4.0136
C6	2.3702	1.4670	2.6292	2.4107	3.6987		4.4212	4.0136	4.0136	1.0955	1.1003	1.1003
H7	2.0511	3.2603	2.4691	3.7006	1.0955	4.4212		1.8219	1.8219	5.2739	4.5899	4.5899
H8	2.1060	2.6409	3.1164	2.5790	1.1003	4.0136	1.8219		1.7835	4.5899	4.2164	4.5781
H9	2.1060	2.6409	3.1164	2.5790	1.1003	4.0136	1.8219	1.7835		4.5899	4.5781	4.2164
H10	3.2603	2.0511	3.7006	2.4691	4.4212	1.0955	5.2739	4.5899	4.5899		1.8219	1.8219
H11	2.6409	2.1060	2.5790	3.1164	4.0136	1.1003	4.5899	4.2164	4.5781	1.8219		1.7835
H12	2.6409	2.1060	2.5790	3.1164	4.0136	1.1003	4.5899	4.5781	4.2164	1.8219	1.7835

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O4	121.842	N1	N2	C6	113.663
N1	C5	H7	105.425	N1	C5	H8	109.398
N1	C5	H9	109.398	N2	N1	O3	121.842
N2	N1	C5	113.663	N2	C6	H10	105.425
N2	C6	H11	109.398	N2	C6	H12	109.398
O3	N1	C5	124.495	O4	N2	C6	124.495
H7	C5	H8	112.139	H7	C5	H9	112.139
H8	C5	H9	108.278	H10	C6	H11	112.139
H10	C6	H12	112.139	H11	C6	H12	108.278

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

using model chemistry: MP2/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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All results from a given calculation for C2H6N2O2 ((E)-Azodioxymethane)

using model chemistry: MP2/cc-pVDZ

States and conformations

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