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	hartrees
Energy at 0K	-336.456472
Energy at 298.15K	-336.465280
HF Energy	-335.730485
Nuclear repulsion energy	251.864417

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3199	3100	0.00
2	A_g	3075	2981	0.00
3	A_g	1565	1517	0.00
4	A_g	1478	1432	0.00
5	A_g	1336	1294	0.00
6	A_g	1320	1279	0.00
7	A_g	1048	1015	0.00
8	A_g	694	672	0.00
9	A_g	582	564	0.00
10	A_g	370	359	0.00
11	A_u	3146	3049	7.51
12	A_u	1552	1504	20.77
13	A_u	1172	1136	0.04
14	A_u	274	266	2.09
15	A_u	200	193	13.46
16	A_u	148	143	4.76
17	B_g	3145	3048	0.00
18	B_g	1550	1502	0.00
19	B_g	1143	1107	0.00
20	B_g	458	444	0.00
21	B_g	176	170	0.00
22	B_u	3199	3100	1.33
23	B_u	3076	2981	8.33
24	B_u	1557	1509	17.22
25	B_u	1468	1423	6.13
26	B_u	1223	1185	20.67
27	B_u	1073	1040	88.08
28	B_u	871	844	76.08
29	B_u	453	439	35.44
30	B_u	296	287	28.44

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.663	0.000
N2	0.000	-0.663	0.000
O3	-1.164	1.353	0.000
O4	1.164	-1.353	0.000
C5	1.358	1.287	0.000
C6	-1.358	-1.287	0.000
H7	1.172	2.361	0.000
H8	1.898	0.955	0.892
H9	1.898	0.955	-0.892
H10	-1.172	-2.361	0.000
H11	-1.898	-0.955	0.892
H12	-1.898	-0.955	-0.892

	N1	N2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
N1		1.3269	1.3526	2.3282	1.4943	2.3769	2.0633	2.1172	2.1172	3.2441	2.6488	2.6488
N2	1.3269		2.3282	1.3526	2.3769	1.4943	3.2441	2.6488	2.6488	2.0633	2.1172	2.1172
O3	1.3526	2.3282		3.5692	2.5222	2.6478	2.5440	3.2135	3.2135	3.7146	2.5810	2.5810
O4	2.3282	1.3526	3.5692		2.6478	2.5222	3.7146	2.5810	2.5810	2.5440	3.2135	3.2135
C5	1.4943	2.3769	2.5222	2.6478		3.7423	1.0899	1.0946	1.0946	4.4402	4.0525	4.0525
C6	2.3769	1.4943	2.6478	2.5222	3.7423		4.4402	4.0525	4.0525	1.0899	1.0946	1.0946
H7	2.0633	3.2441	2.5440	3.7146	1.0899	4.4402		1.8169	1.8169	5.2728	4.6063	4.6063
H8	2.1172	2.6488	3.2135	2.5810	1.0946	4.0525	1.8169		1.7841	4.6063	4.2490	4.6084
H9	2.1172	2.6488	3.2135	2.5810	1.0946	4.0525	1.8169	1.7841		4.6063	4.6084	4.2490
H10	3.2441	2.0633	3.7146	2.5440	4.4402	1.0899	5.2728	4.6063	4.6063		1.8169	1.8169
H11	2.6488	2.1172	2.5810	3.2135	4.0525	1.0946	4.6063	4.2490	4.6084	1.8169		1.7841
H12	2.6488	2.1172	2.5810	3.2135	4.0525	1.0946	4.6063	4.6084	4.2490	1.8169	1.7841

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O4	120.658	N1	N2	C6	114.682
N1	C5	H7	104.875	N1	C5	H8	108.748
N1	C5	H9	108.748	N2	N1	O3	120.658
N2	N1	C5	114.682	N2	C6	H10	104.875
N2	C6	H11	108.748	N2	C6	H12	108.748
O3	N1	C5	124.660	O4	N2	C6	124.660
H7	C5	H8	112.554	H7	C5	H9	112.554
H8	C5	H9	109.167	H10	C6	H11	112.554
H10	C6	H12	112.554	H11	C6	H12	109.167

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

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

using model chemistry: QCISD/3-21G

States and conformations

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