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	hartrees
Energy at 0K	-339.632219
Energy at 298.15K	-339.641276
Nuclear repulsion energy	260.878746

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3231	3091	0.00
2	A_g	3086	2953	0.00
3	A_g	1620	1550	0.00
4	A_g	1466	1403	0.00
5	A_g	1459	1396	0.00
6	A_g	1412	1351	0.00
7	A_g	1114	1065	0.00
8	A_g	816	780	0.00
9	A_g	641	613	0.00
10	A_g	415	397	0.00
11	A_u	3163	3026	8.53
12	A_u	1466	1402	28.25
13	A_u	1133	1084	0.21
14	A_u	340	325	5.99
15	A_u	191	183	14.44
16	A_u	101	96	2.01
17	B_g	3162	3025	0.00
18	B_g	1463	1400	0.00
19	B_g	1107	1059	0.00
20	B_g	519	496	0.00
21	B_g	137	131	0.00
22	B_u	3231	3091	0.19
23	B_u	3086	2953	9.75
24	B_u	1485	1421	5.99
25	B_u	1435	1373	80.39
26	B_u	1382	1323	321.15
27	B_u	1169	1118	40.57
28	B_u	972	930	42.17
29	B_u	561	537	39.55
30	B_u	302	289	24.13

Atom	x (Å)	y (Å)	z (Å)
N1	-0.063	0.645	0.000
N2	0.063	-0.645	0.000
O3	-1.187	1.202	0.000
O4	1.187	-1.202	0.000
C5	1.187	1.402	0.000
C6	-1.187	-1.402	0.000
H7	0.894	2.445	0.000
H8	1.769	1.138	0.883
H9	1.769	1.138	-0.883
H10	-0.894	-2.445	0.000
H11	-1.769	-1.138	0.883
H12	-1.769	-1.138	-0.883

	N1	N2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
N1		1.2965	1.2542	2.2300	1.4610	2.3350	2.0385	2.0929	2.0929	3.2001	2.6215	2.6215
N2	1.2965		2.2300	1.2542	2.3350	1.4610	3.2001	2.6215	2.6215	2.0385	2.0929	2.0929
O3	1.2542	2.2300		3.3780	2.3824	2.6031	2.4241	3.0860	3.0860	3.6585	2.5680	2.5680
O4	2.2300	1.2542	3.3780		2.6031	2.3824	3.6585	2.5680	2.5680	2.4241	3.0860	3.0860
C5	1.4610	2.3350	2.3824	2.6031		3.6733	1.0841	1.0899	1.0899	4.3734	3.9963	3.9963
C6	2.3350	1.4610	2.6031	2.3824	3.6733		4.3734	3.9963	3.9963	1.0841	1.0899	1.0899
H7	2.0385	3.2001	2.4241	3.6585	1.0841	4.3734		1.8038	1.8038	5.2068	4.5512	4.5512
H8	2.0929	2.6215	3.0860	2.5680	1.0899	3.9963	1.8038		1.7660	4.5512	4.2078	4.5633
H9	2.0929	2.6215	3.0860	2.5680	1.0899	3.9963	1.8038	1.7660		4.5512	4.5633	4.2078
H10	3.2001	2.0385	3.6585	2.4241	4.3734	1.0841	5.2068	4.5512	4.5512		1.8038	1.8038
H11	2.6215	2.0929	2.5680	3.0860	3.9963	1.0899	4.5512	4.2078	4.5633	1.8038		1.7660
H12	2.6215	2.0929	2.5680	3.0860	3.9963	1.0899	4.5512	4.5633	4.2078	1.8038	1.7660

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O4	121.918	N1	N2	C6	115.596
N1	C5	H7	105.484	N1	C5	H8	109.397
N1	C5	H9	109.397	N2	N1	O3	121.918
N2	N1	C5	115.596	N2	C6	H10	105.484
N2	C6	H11	109.397	N2	C6	H12	109.397
O3	N1	C5	122.486	O4	N2	C6	122.486
H7	C5	H8	112.141	H7	C5	H9	112.141
H8	C5	H9	108.220	H10	C6	H11	112.141
H10	C6	H12	112.141	H11	C6	H12	108.220

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

using model chemistry: mPW1PW91/6-311G**

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	0.091
2	N	0.091
3	O	-0.414
4	O	-0.414
5	C	-0.155
6	C	-0.155
7	H	0.153
8	H	0.163
9	H	0.163
10	H	0.153
11	H	0.163
12	H	0.163

	x	y	z
x	7.814	-0.567	0.000
y	-0.567	9.117	0.000
z	0.000	0.000	4.501

<r²>	148.578
(<r²>)^1/2	12.189

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

using model chemistry: mPW1PW91/6-311G**

States and conformations

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