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	hartrees
Energy at 0K	-189.103076
Energy at 298.15K	-189.110520
HF Energy	-189.103076
Nuclear repulsion energy	120.577711

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3138	3011	0.00
2	A_g	3041	2918	0.00
3	A_g	1723	1653	0.00
4	A_g	1485	1425	0.00
5	A_g	1418	1360	0.00
6	A_g	1232	1182	0.00
7	A_g	948	909	0.00
8	A_g	607	582	0.00
9	A_u	3127	3001	32.01
10	A_u	1485	1425	19.67
11	A_u	1148	1101	1.10
12	A_u	295	283	6.43
13	A_u	160	154	2.84
14	B_g	3127	3001	0.00
15	B_g	1484	1424	0.00
16	B_g	1050	1008	0.00
17	B_g	227	218	0.00
18	B_u	3138	3011	40.88
19	B_u	3039	2916	55.37
20	B_u	1493	1432	36.84
21	B_u	1422	1364	5.34
22	B_u	1149	1103	1.33
23	B_u	1059	1016	11.48
24	B_u	354	340	14.78

Atom	x (Å)	y (Å)	z (Å)
N1	0.368	0.494	0.000
N2	-0.368	-0.494	0.000
C3	-0.368	1.747	0.000
C4	0.368	-1.747	0.000
H5	-1.450	1.590	0.000
H6	1.450	-1.590	0.000
H7	-0.060	2.320	0.880
H8	-0.060	2.320	-0.880
H9	0.060	-2.320	0.880
H10	0.060	-2.320	-0.880

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2314	1.4532	2.2409	2.1231	2.3485	2.0713	2.0713	2.9636	2.9636
N2	1.2314		2.2409	1.4532	2.3485	2.1231	2.9636	2.9636	2.0713	2.0713
C3	1.4532	2.2409		3.5708	1.0939	3.8005	1.0936	1.0936	4.1826	4.1826
C4	2.2409	1.4532	3.5708		3.8005	1.0939	4.1826	4.1826	1.0936	1.0936
H5	2.1231	2.3485	1.0939	3.8005		4.3046	1.7994	1.7994	4.2828	4.2828
H6	2.3485	2.1231	3.8005	1.0939	4.3046		4.2828	4.2828	1.7994	1.7994
H7	2.0713	2.9636	1.0936	4.1826	1.7994	4.2828		1.7591	4.6407	4.9629
H8	2.0713	2.9636	1.0936	4.1826	1.7994	4.2828	1.7591		4.9629	4.6407
H9	2.9636	2.0713	4.1826	1.0936	4.2828	1.7994	4.6407	4.9629		1.7591
H10	2.9636	2.0713	4.1826	1.0936	4.2828	1.7994	4.9629	4.6407	1.7591

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	112.919	N1	C3	H5	112.165
N1	C3	H7	108.006	N1	C3	H8	108.006
N2	N1	C3	112.919	N2	C4	H6	112.165
N2	C4	H9	108.006	N2	C4	H10	108.006
H5	C3	H7	110.695	H5	C3	H8	110.695
H6	C4	H9	110.695	H6	C4	H10	110.695
H7	C3	H8	107.082	H9	C4	H10	107.082

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

using model chemistry: HSEh1PBE/6-311G*

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	-0.131
2	N	-0.131
3	C	-0.549
4	C	-0.549
5	H	0.211
6	H	0.211
7	H	0.235
8	H	0.235
9	H	0.235
10	H	0.235

	x	y	z
x	5.057	-0.260	0.000
y	-0.260	8.491	0.000
z	0.000	0.000	4.271

<r²>	92.585
(<r²>)^1/2	9.622

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

using model chemistry: HSEh1PBE/6-311G*

States and conformations

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