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	hartrees
Energy at 0K	-189.319877
Energy at 298.15K	-189.327276
HF Energy	-189.319877
Nuclear repulsion energy	119.981818

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3108	3004	0.00
2	A_g	3021	2919	0.00
3	A_g	1678	1621	0.00
4	A_g	1487	1437	0.00
5	A_g	1418	1370	0.00
6	A_g	1215	1174	0.00
7	A_g	929	898	0.00
8	A_g	596	576	0.00
9	A_u	3097	2992	38.54
10	A_u	1487	1437	17.32
11	A_u	1147	1108	1.67
12	A_u	290	281	6.09
13	A_u	156	150	2.47
14	B_g	3097	2992	0.00
15	B_g	1486	1436	0.00
16	B_g	1051	1016	0.00
17	B_g	220	213	0.00
18	B_u	3108	3003	46.41
19	B_u	3020	2918	59.45
20	B_u	1495	1444	33.42
21	B_u	1423	1375	3.62
22	B_u	1148	1109	1.52
23	B_u	1020	985	10.25
24	B_u	351	339	14.31

Atom	x (Å)	y (Å)	z (Å)
N1	0.369	0.496	0.000
N2	-0.369	-0.496	0.000
C3	-0.369	1.760	0.000
C4	0.369	-1.760	0.000
H5	-1.452	1.605	0.000
H6	1.452	-1.605	0.000
H7	-0.061	2.330	0.880
H8	-0.061	2.330	-0.880
H9	0.061	-2.330	0.880
H10	0.061	-2.330	-0.880

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2361	1.4643	2.2554	2.1326	2.3631	2.0799	2.0799	2.9758	2.9758
N2	1.2361		2.2554	1.4643	2.3631	2.1326	2.9758	2.9758	2.0799	2.0799
C3	1.4643	2.2554		3.5963	1.0936	3.8261	1.0936	1.0936	4.2058	4.2058
C4	2.2554	1.4643	3.5963		3.8261	1.0936	4.2058	4.2058	1.0936	1.0936
H5	2.1326	2.3631	1.0936	3.8261		4.3286	1.7992	1.7992	4.3068	4.3068
H6	2.3631	2.1326	3.8261	1.0936	4.3286		4.3068	4.3068	1.7992	1.7992
H7	2.0799	2.9758	1.0936	4.2058	1.7992	4.3068		1.7609	4.6620	4.9835
H8	2.0799	2.9758	1.0936	4.2058	1.7992	4.3068	1.7609		4.9835	4.6620
H9	2.9758	2.0799	4.2058	1.0936	4.3068	1.7992	4.6620	4.9835		1.7609
H10	2.9758	2.0799	4.2058	1.0936	4.3068	1.7992	4.9835	4.6620	1.7609

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	113.004	N1	C3	H5	112.158
N1	C3	H7	107.932	N1	C3	H8	107.932
N2	N1	C3	113.004	N2	C4	H6	112.158
N2	C4	H9	107.932	N2	C4	H10	107.932
H5	C3	H7	110.695	H5	C3	H8	110.695
H6	C4	H9	110.695	H6	C4	H10	110.695
H7	C3	H8	107.241	H9	C4	H10	107.241

All results from a given calculation for CH₃NNCH₃ ((E)-1,2-Dimethyldiazene)

using model chemistry: B3LYP/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	-0.126
2	N	-0.126
3	C	-0.505
4	C	-0.505
5	H	0.195
6	H	0.195
7	H	0.218
8	H	0.218
9	H	0.218
10	H	0.218

	x	y	z
x	5.115	-0.308	0.000
y	-0.308	8.644	0.000
z	0.000	0.000	4.311

<r²>	93.618
(<r²>)^1/2	9.676

All results from a given calculation for CH3NNCH3 ((E)-1,2-Dimethyldiazene)

using model chemistry: B3LYP/6-311G*

States and conformations

All results from a given calculation for CH₃NNCH₃ ((E)-1,2-Dimethyldiazene)