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	hartrees
Energy at 0K	-189.231741
Energy at 298.15K	-189.239065
HF Energy	-189.231741
Nuclear repulsion energy	119.680090

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3049	3003	0.00
2	A_g	2959	2914	0.00
3	A_g	1602	1578	0.00
4	A_g	1438	1416	0.00
5	A_g	1366	1345	0.00
6	A_g	1173	1155	0.00
7	A_g	889	876	0.00
8	A_g	580	571	0.00
9	A_u	3042	2995	23.05
10	A_u	1439	1417	15.35
11	A_u	1109	1092	1.70
12	A_u	282	278	6.69
13	A_u	153	150	2.02
14	B_g	3042	2995	0.00
15	B_g	1439	1417	0.00
16	B_g	1011	996	0.00
17	B_g	214	210	0.00
18	B_u	3049	3002	41.62
19	B_u	2957	2912	65.27
20	B_u	1445	1423	32.24
21	B_u	1375	1354	1.86
22	B_u	1108	1091	2.01
23	B_u	975	960	11.34
24	B_u	343	338	16.23

Atom	x (Å)	y (Å)	z (Å)
N1	0.369	0.497	0.000
N2	-0.369	-0.497	0.000
C3	-0.369	1.765	0.000
C4	0.369	-1.765	0.000
H5	-1.456	1.618	0.000
H6	1.456	-1.618	0.000
H7	-0.054	2.335	0.882
H8	-0.054	2.335	-0.882
H9	0.054	-2.335	0.882
H10	0.054	-2.335	-0.882

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2385	1.4677	2.2624	2.1417	2.3775	2.0818	2.0818	2.9825	2.9825
N2	1.2385		2.2624	1.4677	2.3775	2.1417	2.9825	2.9825	2.0818	2.0818
C3	1.4677	2.2624		3.6071	1.0965	3.8439	1.0959	1.0959	4.2151	4.2151
C4	2.2624	1.4677	3.6071		3.8439	1.0965	4.2151	4.2151	1.0959	1.0959
H5	2.1417	2.3775	1.0965	3.8439		4.3526	1.8044	1.8044	4.3219	4.3219
H6	2.3775	2.1417	3.8439	1.0965	4.3526		4.3219	4.3219	1.8044	1.8044
H7	2.0818	2.9825	1.0959	4.2151	1.8044	4.3219		1.7640	4.6704	4.9925
H8	2.0818	2.9825	1.0959	4.2151	1.8044	4.3219	1.7640		4.9925	4.6704
H9	2.9825	2.0818	4.2151	1.0959	4.3219	1.8044	4.6704	4.9925		1.7640
H10	2.9825	2.0818	4.2151	1.0959	4.3219	1.8044	4.9925	4.6704	1.7640

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	113.176	N1	C3	H5	112.473
N1	C3	H7	107.715	N1	C3	H8	107.715
N2	N1	C3	113.176	N2	C4	H6	112.473
N2	C4	H9	107.715	N2	C4	H10	107.715
H5	C3	H7	110.769	H5	C3	H8	110.769
H6	C4	H9	110.769	H6	C4	H10	110.769
H7	C3	H8	107.182	H9	C4	H10	107.182

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

using model chemistry: B97D3/aug-cc-pVTZ

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	-0.259
2	N	-0.259
3	C	-0.338
4	C	-0.338
5	H	0.249
6	H	0.249
7	H	0.174
8	H	0.174
9	H	0.174
10	H	0.174

	x	y	z
x	6.778	-0.443	0.000
y	-0.443	10.130	0.000
z	0.000	0.000	5.561

<r²>	94.179
(<r²>)^1/2	9.705

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

using model chemistry: B97D3/aug-cc-pVTZ

States and conformations

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