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	hartrees
Energy at 0K	-337.607422
Energy at 298.15K	-337.616296
Nuclear repulsion energy	254.842686

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3232	3107	0.00
2	A_g	3092	2972	0.00
3	A_g	1551	1491	0.00
4	A_g	1460	1403	0.00
5	A_g	1378	1324	0.00
6	A_g	1315	1264	0.00
7	A_g	1073	1031	0.00
8	A_g	729	701	0.00
9	A_g	603	580	0.00
10	A_g	378	364	0.00
11	A_u	3164	3042	4.70
12	A_u	1525	1466	32.50
13	A_u	1150	1106	0.93
14	A_u	290	279	1.62
15	A_u	202	194	14.29
16	A_u	131	126	3.56
17	B_g	3163	3041	0.00
18	B_g	1521	1462	0.00
19	B_g	1120	1077	0.00
20	B_g	472	454	0.00
21	B_g	165	158	0.00
22	B_u	3233	3107	0.66
23	B_u	3092	2972	6.20
24	B_u	1535	1476	18.19
25	B_u	1449	1393	19.07
26	B_u	1267	1218	96.74
27	B_u	1134	1090	41.38
28	B_u	917	882	41.14
29	B_u	484	465	31.03
30	B_u	292	281	28.73

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.666	0.000
N2	0.000	-0.666	0.000
O3	-1.131	1.346	0.000
O4	1.131	-1.346	0.000
C5	1.347	1.265	0.000
C6	-1.347	-1.265	0.000
H7	1.187	2.340	0.000
H8	1.888	0.927	0.887
H9	1.888	0.927	-0.887
H10	-1.187	-2.340	0.000
H11	-1.888	-0.927	0.887
H12	-1.888	-0.927	-0.887

	N1	N2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
N1		1.3321	1.3196	2.3081	1.4745	2.3546	2.0516	2.1027	2.1027	3.2316	2.6251	2.6251
N2	1.3321		2.3081	1.3196	2.3546	1.4745	3.2316	2.6251	2.6251	2.0516	2.1027	2.1027
O3	1.3196	2.3081		3.5161	2.4797	2.6198	2.5215	3.1748	3.1748	3.6862	2.5549	2.5549
O4	2.3081	1.3196	3.5161		2.6198	2.4797	3.6862	2.5549	2.5549	2.5215	3.1748	3.1748
C5	1.4745	2.3546	2.4797	2.6198		3.6963	1.0869	1.0927	1.0927	4.4062	4.0078	4.0078
C6	2.3546	1.4745	2.6198	2.4797	3.6963		4.4062	4.0078	4.0078	1.0869	1.0927	1.0927
H7	2.0516	3.2316	2.5215	3.6862	1.0869	4.4062		1.8100	1.8100	5.2469	4.5732	4.5732
H8	2.1027	2.6251	3.1748	2.5549	1.0927	4.0078	1.8100		1.7746	4.5732	4.2073	4.5662
H9	2.1027	2.6251	3.1748	2.5549	1.0927	4.0078	1.8100	1.7746		4.5732	4.5662	4.2073
H10	3.2316	2.0516	3.6862	2.5215	4.4062	1.0869	5.2469	4.5732	4.5732		1.8100	1.8100
H11	2.6251	2.1027	2.5549	3.1748	4.0078	1.0927	4.5732	4.2073	4.5662	1.8100		1.7746
H12	2.6251	2.1027	2.5549	3.1748	4.0078	1.0927	4.5732	4.5662	4.2073	1.8100	1.7746

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O4	121.016	N1	N2	C6	113.959
N1	C5	H7	105.442	N1	C5	H8	109.073
N1	C5	H9	109.073	N2	N1	O3	121.016
N2	N1	C5	113.959	N2	C6	H10	105.442
N2	C6	H11	109.073	N2	C6	H12	109.073
O3	N1	C5	125.025	O4	N2	C6	125.025
H7	C5	H8	112.282	H7	C5	H9	112.282
H8	C5	H9	108.582	H10	C6	H11	112.282
H10	C6	H12	112.282	H11	C6	H12	108.582

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

using model chemistry: B3PW91/3-21G

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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Number	Element	Mulliken
1	N	-0.007
2	N	-0.007
3	O	-0.361
4	O	-0.361
5	C	-0.428
6	C	-0.428
7	H	0.258
8	H	0.269
9	H	0.269
10	H	0.258
11	H	0.269
12	H	0.269

<r²>	153.143
(<r²>)^1/2	12.375

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

using model chemistry: B3PW91/3-21G

States and conformations

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