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	hartrees
Energy at 0K	-189.280162
Energy at 298.15K	-189.287494
HF Energy	-189.280162
Nuclear repulsion energy	120.585517

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3137	3001	0.00
2	A_g	3042	2910	0.00
3	A_g	1716	1641	0.00
4	A_g	1480	1415	0.00
5	A_g	1422	1360	0.00
6	A_g	1232	1178	0.00
7	A_g	950	909	0.00
8	A_g	609	583	0.00
9	A_u	3128	2992	18.90
10	A_u	1472	1408	18.76
11	A_u	1141	1092	1.09
12	A_u	291	279	7.26
13	A_u	105	101	1.44
14	B_g	3128	2992	0.00
15	B_g	1471	1407	0.00
16	B_g	1046	1000	0.00
17	B_g	199	191	0.00
18	B_u	3136	3000	31.31
19	B_u	3041	2909	48.92
20	B_u	1485	1420	33.41
21	B_u	1425	1363	2.65
22	B_u	1149	1099	1.15
23	B_u	1057	1011	8.76
24	B_u	361	346	16.19

Atom	x (Å)	y (Å)	z (Å)
N1	0.363	0.493	0.000
N2	-0.363	-0.493	0.000
C3	-0.363	1.756	0.000
C4	0.363	-1.756	0.000
H5	-1.444	1.608	0.000
H6	1.444	-1.608	0.000
H7	-0.052	2.321	0.879
H8	-0.052	2.321	-0.879
H9	0.052	-2.321	0.879
H10	0.052	-2.321	-0.879

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2236	1.4565	2.2488	2.1225	2.3624	2.0706	2.0706	2.9642	2.9642
N2	1.2236		2.2488	1.4565	2.3624	2.1225	2.9642	2.9642	2.0706	2.0706
C3	1.4565	2.2488		3.5861	1.0912	3.8180	1.0901	1.0901	4.1913	4.1913
C4	2.2488	1.4565	3.5861		3.8180	1.0912	4.1913	4.1913	1.0901	1.0901
H5	2.1225	2.3624	1.0912	3.8180		4.3215	1.7936	1.7936	4.2949	4.2949
H6	2.3624	2.1225	3.8180	1.0912	4.3215		4.2949	4.2949	1.7936	1.7936
H7	2.0706	2.9642	1.0901	4.1913	1.7936	4.2949		1.7583	4.6432	4.9650
H8	2.0706	2.9642	1.0901	4.1913	1.7936	4.2949	1.7583		4.9650	4.6432
H9	2.9642	2.0706	4.1913	1.0901	4.2949	1.7936	4.6432	4.9650		1.7583
H10	2.9642	2.0706	4.1913	1.0901	4.2949	1.7936	4.9650	4.6432	1.7583

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	113.807	N1	C3	H5	112.045
N1	C3	H7	107.933	N1	C3	H8	107.933
N2	N1	C3	113.807	N2	C4	H6	112.045
N2	C4	H9	107.933	N2	C4	H10	107.933
H5	C3	H7	110.625	H5	C3	H8	110.625
H6	C4	H9	110.625	H6	C4	H10	110.625
H7	C3	H8	107.511	H9	C4	H10	107.511

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

using model chemistry: wB97X-D/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	-0.276
2	N	-0.276
3	C	-0.654
4	C	-0.654
5	H	0.363
6	H	0.363
7	H	0.283
8	H	0.283
9	H	0.283
10	H	0.283

	x	y	z
x	6.208	-0.207	0.000
y	-0.207	9.149	0.000
z	0.000	0.000	5.305

<r²>	92.837
(<r²>)^1/2	9.635

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

using model chemistry: wB97X-D/aug-cc-pVTZ

States and conformations

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