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	hartrees
Energy at 0K	-188.150723
Energy at 298.15K	-188.158052
HF Energy	-188.150723
Nuclear repulsion energy	118.433704

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3175	3009	0.00
2	A_g	3077	2916	0.00
3	A_g	1567	1485	0.00
4	A_g	1508	1429	0.00
5	A_g	1434	1359	0.00
6	A_g	1208	1145	0.00
7	A_g	888	842	0.00
8	A_g	595	564	0.00
9	A_u	3161	2996	20.57
10	A_u	1546	1465	22.97
11	A_u	1153	1093	0.33
12	A_u	286	271	9.55
13	A_u	140	133	3.75
14	B_g	3161	2996	0.00
15	B_g	1544	1463	0.00
16	B_g	1058	1003	0.00
17	B_g	207	197	0.00
18	B_u	3174	3008	21.66
19	B_u	3076	2915	24.62
20	B_u	1546	1465	32.55
21	B_u	1449	1373	11.11
22	B_u	1166	1105	1.21
23	B_u	979	928	3.07
24	B_u	347	328	18.28

Atom	x (Å)	y (Å)	z (Å)
N1	0.369	0.505	0.000
N2	-0.369	-0.505	0.000
C3	-0.369	1.789	0.000
C4	0.369	-1.789	0.000
H5	-1.453	1.637	0.000
H6	1.453	-1.637	0.000
H7	-0.062	2.356	0.884
H8	-0.062	2.356	-0.884
H9	0.062	-2.356	0.884
H10	0.062	-2.356	-0.884

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2513	1.4806	2.2948	2.1443	2.4009	2.0953	2.0953	3.0104	3.0104
N2	1.2513		2.2948	1.4806	2.4009	2.1443	3.0104	3.0104	2.0953	2.0953
C3	1.4806	2.2948		3.6540	1.0950	3.8803	1.0939	1.0939	4.2602	4.2602
C4	2.2948	1.4806	3.6540		3.8803	1.0950	4.2602	4.2602	1.0939	1.0939
H5	2.1443	2.4009	1.0950	3.8803		4.3772	1.7985	1.7985	4.3606	4.3606
H6	2.4009	2.1443	3.8803	1.0950	4.3772		4.3606	4.3606	1.7985	1.7985
H7	2.0953	3.0104	1.0939	4.2602	1.7985	4.3606		1.7682	4.7131	5.0339
H8	2.0953	3.0104	1.0939	4.2602	1.7985	4.3606	1.7682		5.0339	4.7131
H9	3.0104	2.0953	4.2602	1.0939	4.3606	1.7985	4.7131	5.0339		1.7682
H10	3.0104	2.0953	4.2602	1.0939	4.3606	1.7985	5.0339	4.7131	1.7682

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	114.024	N1	C3	H5	111.853
N1	C3	H7	108.008	N1	C3	H8	108.008
N2	N1	C3	114.024	N2	C4	H6	111.853
N2	C4	H9	108.008	N2	C4	H10	108.008
H5	C3	H7	110.500	H5	C3	H8	110.500
H6	C4	H9	110.500	H6	C4	H10	110.500
H7	C3	H8	107.833	H9	C4	H10	107.833

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

using model chemistry: wB97X-D/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	-0.224
2	N	-0.224
3	C	-0.474
4	C	-0.474
5	H	0.224
6	H	0.224
7	H	0.237
8	H	0.237
9	H	0.237
10	H	0.237

	x	y	z
x	4.052	-0.124	0.000
y	-0.124	7.491	0.000
z	0.000	0.000	3.627

<r²>	94.762
(<r²>)^1/2	9.735

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

using model chemistry: wB97X-D/3-21G*

States and conformations

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