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	hartrees
Energy at 0K	-188.329075
Energy at 298.15K	-188.336475
HF Energy	-188.329075
Nuclear repulsion energy	121.060571

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3041	3012	0.00
2	A_g	2940	2913	0.00
3	A_g	1653	1638	0.00
4	A_g	1386	1373	0.00
5	A_g	1324	1311	0.00
6	A_g	1184	1172	0.00
7	A_g	920	911	0.00
8	A_g	600	594	0.00
9	A_u	3034	3005	2.66
10	A_u	1383	1370	23.39
11	A_u	1080	1070	0.21
12	A_u	290	288	7.63
13	A_u	165	164	3.58
14	B_g	3034	3006	0.00
15	B_g	1384	1371	0.00
16	B_g	987	978	0.00
17	B_g	234	232	0.00
18	B_u	3040	3012	21.83
19	B_u	2939	2911	38.61
20	B_u	1395	1382	42.48
21	B_u	1331	1318	16.51
22	B_u	1082	1071	2.76
23	B_u	1065	1055	19.46
24	B_u	349	345	20.02

Atom	x (Å)	y (Å)	z (Å)
N1	0.362	0.498	0.000
N2	-0.362	-0.498	0.000
C3	-0.362	1.734	0.000
C4	0.362	-1.734	0.000
H5	-1.453	1.577	0.000
H6	1.453	-1.577	0.000
H7	-0.050	2.316	0.881
H8	-0.050	2.316	-0.881
H9	0.050	-2.316	0.881
H10	0.050	-2.316	-0.881

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2319	1.4332	2.2324	2.1120	2.3441	2.0618	2.0618	2.9653	2.9653
N2	1.2319		2.2324	1.4332	2.3441	2.1120	2.9653	2.9653	2.0618	2.0618
C3	1.4332	2.2324		3.5437	1.1022	3.7764	1.1008	1.1008	4.1656	4.1656
C4	2.2324	1.4332	3.5437		3.7764	1.1022	4.1656	4.1656	1.1008	1.1008
H5	2.1120	2.3441	1.1022	3.7764		4.2888	1.8144	1.8144	4.2650	4.2650
H6	2.3441	2.1120	3.7764	1.1022	4.2888		4.2650	4.2650	1.8144	1.8144
H7	2.0618	2.9653	1.1008	4.1656	1.8144	4.2650		1.7613	4.6334	4.9569
H8	2.0618	2.9653	1.1008	4.1656	1.8144	4.2650	1.7613		4.9569	4.6334
H9	2.9653	2.0618	4.1656	1.1008	4.2650	1.8144	4.6334	4.9569		1.7613
H10	2.9653	2.0618	4.1656	1.1008	4.2650	1.8144	4.9569	4.6334	1.7613

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	113.573	N1	C3	H5	112.162
N1	C3	H7	108.195	N1	C3	H8	108.195
N2	N1	C3	113.573	N2	C4	H6	112.162
N2	C4	H9	108.195	N2	C4	H10	108.195
H5	C3	H7	110.897	H5	C3	H8	110.897
H6	C4	H9	110.897	H6	C4	H10	110.897
H7	C3	H8	106.263	H9	C4	H10	106.263

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

using model chemistry: LSDA/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	-0.255
2	N	-0.255
3	C	-0.496
4	C	-0.496
5	H	0.290
6	H	0.290
7	H	0.231
8	H	0.231
9	H	0.231
10	H	0.231

	x	y	z
x	6.868	-0.403	0.000
y	-0.403	10.141	0.000
z	0.000	0.000	5.633

<r²>	92.139
(<r²>)^1/2	9.599

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

using model chemistry: LSDA/aug-cc-pVTZ

States and conformations

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