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	hartrees
Energy at 0K	-189.294221
Energy at 298.15K	-189.301619
HF Energy	-189.294221
Nuclear repulsion energy	119.694510

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3121	3009	0.00
2	A_g	3028	2920	0.00
3	A_g	1683	1623	0.00
4	A_g	1476	1423	0.00
5	A_g	1413	1362	0.00
6	A_g	1213	1169	0.00
7	A_g	929	895	0.00
8	A_g	594	573	0.00
9	A_u	3110	2999	22.29
10	A_u	1476	1423	20.15
11	A_u	1139	1098	1.36
12	A_u	291	281	7.79
13	A_u	158	152	2.22
14	B_g	3111	2999	0.00
15	B_g	1476	1423	0.00
16	B_g	1042	1005	0.00
17	B_g	220	212	0.00
18	B_u	3121	3009	35.31
19	B_u	3027	2918	54.58
20	B_u	1481	1428	31.94
21	B_u	1418	1367	1.67
22	B_u	1141	1100	1.11
23	B_u	1026	989	9.49
24	B_u	351	338	16.79

Atom	x (Å)	y (Å)	z (Å)
N1	0.369	0.499	0.000
N2	-0.369	-0.499	0.000
C3	-0.369	1.765	0.000
C4	0.369	-1.765	0.000
H5	-1.454	1.613	0.000
H6	1.454	-1.613	0.000
H7	-0.058	2.335	0.882
H8	-0.058	2.335	-0.882
H9	0.058	-2.335	0.882
H10	0.058	-2.335	-0.882

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2403	1.4660	2.2639	2.1368	2.3743	2.0817	2.0817	2.9840	2.9840
N2	1.2403		2.2639	1.4660	2.3743	2.1368	2.9840	2.9840	2.0817	2.0817
C3	1.4660	2.2639		3.6070	1.0958	3.8390	1.0954	1.0954	4.2159	4.2159
C4	2.2639	1.4660	3.6070		3.8390	1.0958	4.2159	4.2159	1.0954	1.0954
H5	2.1368	2.3743	1.0958	3.8390		4.3437	1.8025	1.8025	4.3190	4.3190
H6	2.3743	2.1368	3.8390	1.0958	4.3437		4.3190	4.3190	1.8025	1.8025
H7	2.0817	2.9840	1.0954	4.2159	1.8025	4.3190		1.7646	4.6716	4.9937
H8	2.0817	2.9840	1.0954	4.2159	1.8025	4.3190	1.7646		4.9937	4.6716
H9	2.9840	2.0817	4.2159	1.0954	4.3190	1.8025	4.6716	4.9937		1.7646
H10	2.9840	2.0817	4.2159	1.0954	4.3190	1.8025	4.9937	4.6716	1.7646

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	113.285	N1	C3	H5	112.238
N1	C3	H7	107.849	N1	C3	H8	107.849
N2	N1	C3	113.285	N2	C4	H6	112.238
N2	C4	H9	107.849	N2	C4	H10	107.849
H5	C3	H7	110.701	H5	C3	H8	110.701
H6	C4	H9	110.701	H6	C4	H10	110.701
H7	C3	H8	107.312	H9	C4	H10	107.312

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

using model chemistry: B3LYP/6-31+G**

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	-0.092
2	N	-0.092
3	C	-0.376
4	C	-0.376
5	H	0.157
6	H	0.157
7	H	0.156
8	H	0.156
9	H	0.156
10	H	0.156

	x	y	z
x	5.861	-0.139	0.000
y	-0.139	9.089	0.000
z	0.000	0.000	4.917

<r²>	94.191
(<r²>)^1/2	9.705

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

using model chemistry: B3LYP/6-31+G**

States and conformations

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