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	hartrees
Energy at 0K	-66.346353
Energy at 298.15K	-66.355329
Nuclear repulsion energy	142.042552

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3249	3111	0.00
2	A_g	3097	2965	0.00
3	A_g	1540	1475	0.00
4	A_g	1472	1410	0.00
5	A_g	1430	1369	0.00
6	A_g	1407	1347	0.00
7	A_g	1103	1056	0.00
8	A_g	777	744	0.00
9	A_g	604	578	0.00
10	A_g	396	379	0.00
11	A_u	3190	3055	29.11
12	A_u	1476	1414	40.95
13	A_u	1144	1096	1.13
14	A_u	331	317	1.17
15	A_u	185	177	20.32
16	A_u	128	123	3.77
17	B_g	3189	3054	0.00
18	B_g	1474	1412	0.00
19	B_g	1121	1074	0.00
20	B_g	511	489	0.00
21	B_g	156	150	0.00
22	B_u	3249	3111	5.18
23	B_u	3096	2965	12.72
24	B_u	1486	1423	6.63
25	B_u	1449	1387	19.52
26	B_u	1319	1263	235.37
27	B_u	1163	1113	37.65
28	B_u	965	924	43.53
29	B_u	517	495	34.85
30	B_u	293	280	25.15

Atom	x (Å)	y (Å)	z (Å)
N1	-0.049	0.665	0.000
N2	0.049	-0.665	0.000
O3	-1.224	1.261	0.000
O4	1.224	-1.261	0.000
C5	1.224	1.418	0.000
C6	-1.224	-1.418	0.000
H7	0.950	2.478	0.000
H8	1.811	1.148	0.889
H9	1.811	1.148	-0.889
H10	-0.950	-2.478	0.000
H11	-1.811	-1.148	0.889
H12	-1.811	-1.148	-0.889

	N1	N2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
N1		1.3331	1.3178	2.3086	1.4788	2.3915	2.0696	2.1172	2.1172	3.2690	2.6799	2.6799
N2	1.3331		2.3086	1.3178	2.3915	1.4788	3.2690	2.6799	2.6799	2.0696	2.1172	2.1172
O3	1.3178	2.3086		3.5150	2.4524	2.6796	2.4905	3.1642	3.1642	3.7491	2.6346	2.6346
O4	2.3086	1.3178	3.5150		2.6796	2.4524	3.7491	2.6346	2.6346	2.4905	3.1642	3.1642
C5	1.4788	2.3915	2.4524	2.6796		3.7462	1.0944	1.0994	1.0994	4.4610	4.0724	4.0724
C6	2.3915	1.4788	2.6796	2.4524	3.7462		4.4610	4.0724	4.0724	1.0944	1.0994	1.0994
H7	2.0696	3.2690	2.4905	3.7491	1.0944	4.4610		1.8168	1.8168	5.3068	4.6429	4.6429
H8	2.1172	2.6799	3.1642	2.6346	1.0994	4.0724	1.8168		1.7787	4.6429	4.2881	4.6424
H9	2.1172	2.6799	3.1642	2.6346	1.0994	4.0724	1.8168	1.7787		4.6429	4.6424	4.2881
H10	3.2690	2.0696	3.7491	2.4905	4.4610	1.0944	5.3068	4.6429	4.6429		1.8168	1.8168
H11	2.6799	2.1172	2.6346	3.1642	4.0724	1.0994	4.6429	4.2881	4.6424	1.8168		1.7787
H12	2.6799	2.1172	2.6346	3.1642	4.0724	1.0994	4.6429	4.6424	4.2881	1.8168	1.7787

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O4	121.120	N1	N2	C6	116.431
N1	C5	H7	106.125	N1	C5	H8	109.532
N1	C5	H9	109.532	N2	N1	O3	121.120
N2	N1	C5	116.431	N2	C6	H10	106.125
N2	C6	H11	109.532	N2	C6	H12	109.532
O3	N1	C5	122.449	O4	N2	C6	122.449
H7	C5	H8	111.819	H7	C5	H9	111.819
H8	C5	H9	107.985	H10	C6	H11	111.819
H10	C6	H12	111.819	H11	C6	H12	107.985

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

using model chemistry: B1B95/CEP-31G

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	0.070
2	N	0.070
3	O	-0.246
4	O	-0.246
5	C	-0.489
6	C	-0.489
7	H	0.230
8	H	0.218
9	H	0.218
10	H	0.230
11	H	0.218
12	H	0.218

	x	y	z
x	7.826	-1.299	0.000
y	-1.299	9.012	0.000
z	0.000	0.000	3.865

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B1B95/CEP-31G

States and conformations

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