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	hartrees
Energy at 0K	-337.596613
Energy at 298.15K	-337.605617
Nuclear repulsion energy	255.690507

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3244	3097	0.00
2	A_g	3099	2959	0.00
3	A_g	1552	1482	0.00
4	A_g	1463	1397	0.00
5	A_g	1384	1321	0.00
6	A_g	1327	1267	0.00
7	A_g	1075	1026	0.00
8	A_g	735	702	0.00
9	A_g	608	580	0.00
10	A_g	383	366	0.00
11	A_u	3171	3028	3.90
12	A_u	1526	1457	33.31
13	A_u	1154	1102	0.71
14	A_u	291	278	2.10
15	A_u	215	205	11.22
16	A_u	158	151	6.38
17	B_g	3170	3027	0.00
18	B_g	1522	1454	0.00
19	B_g	1124	1074	0.00
20	B_g	484	462	0.00
21	B_g	197	188	0.00
22	B_u	3244	3098	0.76
23	B_u	3099	2959	5.55
24	B_u	1535	1466	17.45
25	B_u	1452	1387	19.92
26	B_u	1269	1212	97.99
27	B_u	1139	1087	44.09
28	B_u	920	879	44.31
29	B_u	476	455	31.75
30	B_u	304	291	28.96

Atom	x (Å)	y (Å)	z (Å)
N1	-0.055	0.660	0.000
N2	0.055	-0.660	0.000
O3	-1.239	1.238	0.000
O4	1.239	-1.238	0.000
C5	1.239	1.360	0.000
C6	-1.239	-1.360	0.000
H7	0.999	2.418	0.000
H8	1.802	1.060	0.885
H9	1.802	1.060	-0.885
H10	-0.999	-2.418	0.000
H11	-1.802	-1.060	0.885
H12	-1.802	-1.060	-0.885

	N1	N2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
N1		1.3255	1.3179	2.2979	1.4713	2.3423	2.0490	2.0956	2.0956	3.2198	2.6070	2.6070
N2	1.3255		2.2979	1.3179	2.3423	1.4713	3.2198	2.6070	2.6070	2.0490	2.0956	2.0956
O3	1.3179	2.2979		3.5040	2.4818	2.5986	2.5300	3.1728	3.1728	3.6640	2.5262	2.5262
O4	2.2979	1.3179	3.5040		2.5986	2.4818	3.6640	2.5262	2.5262	2.5300	3.1728	3.1728
C5	1.4713	2.3423	2.4818	2.5986		3.6805	1.0846	1.0908	1.0908	4.3913	3.9866	3.9866
C6	2.3423	1.4713	2.5986	2.4818	3.6805		4.3913	3.9866	3.9866	1.0846	1.0908	1.0908
H7	2.0490	3.2198	2.5300	3.6640	1.0846	4.3913		1.8090	1.8090	5.2321	4.5524	4.5524
H8	2.0956	2.6070	3.1728	2.5262	1.0908	3.9866	1.8090		1.7696	4.5524	4.1818	4.5408
H9	2.0956	2.6070	3.1728	2.5262	1.0908	3.9866	1.8090	1.7696		4.5524	4.5408	4.1818
H10	3.2198	2.0490	3.6640	2.5300	4.3913	1.0846	5.2321	4.5524	4.5524		1.8090	1.8090
H11	2.6070	2.0956	2.5262	3.1728	3.9866	1.0908	4.5524	4.1818	4.5408	1.8090		1.7696
H12	2.6070	2.0956	2.5262	3.1728	3.9866	1.0908	4.5524	4.5408	4.1818	1.8090	1.7696

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O4	120.751	N1	N2	C6	113.651
N1	C5	H7	105.583	N1	C5	H8	108.845
N1	C5	H9	108.845	N2	N1	O3	120.751
N2	N1	C5	113.651	N2	C6	H10	105.583
N2	C6	H11	108.845	N2	C6	H12	108.845
O3	N1	C5	125.598	O4	N2	C6	125.598
H7	C5	H8	112.514	H7	C5	H9	112.514
H8	C5	H9	108.409	H10	C6	H11	112.514
H10	C6	H12	112.514	H11	C6	H12	108.409

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

using model chemistry: B1B95/3-21G*

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	-0.013
2	N	-0.013
3	O	-0.360
4	O	-0.360
5	C	-0.411
6	C	-0.411
7	H	0.253
8	H	0.265
9	H	0.265
10	H	0.253
11	H	0.265
12	H	0.265

	x	y	z
x	7.087	-0.739	0.000
y	-0.739	8.079	0.000
z	0.000	0.000	3.574

<r²>	152.081
(<r²>)^1/2	12.332

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

using model chemistry: B1B95/3-21G*

States and conformations

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