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	hartrees
Energy at 0K	-188.113143
Energy at 298.15K	-188.120501
HF Energy	-188.113143
Nuclear repulsion energy	118.594229

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3170	3033	0.00
2	A_g	3072	2939	0.00
3	A_g	1558	1491	0.00
4	A_g	1491	1427	0.00
5	A_g	1411	1350	0.00
6	A_g	1193	1141	0.00
7	A_g	868	831	0.00
8	A_g	585	560	0.00
9	A_u	3157	3020	21.63
10	A_u	1541	1474	20.95
11	A_u	1144	1095	0.13
12	A_u	283	271	8.84
13	A_u	161	154	4.15
14	B_g	3157	3020	0.00
15	B_g	1539	1473	0.00
16	B_g	1045	1000	0.00
17	B_g	224	215	0.00
18	B_u	3170	3032	22.84
19	B_u	3070	2937	26.62
20	B_u	1539	1473	30.40
21	B_u	1430	1368	9.26
22	B_u	1150	1100	0.90
23	B_u	967	925	3.13
24	B_u	336	321	17.54

Atom	x (Å)	y (Å)	z (Å)
N1	0.387	0.502	0.000
N2	-0.387	-0.502	0.000
C3	-0.387	1.776	0.000
C4	0.387	-1.776	0.000
H5	-1.461	1.585	0.000
H6	1.461	-1.585	0.000
H7	-0.090	2.343	0.885
H8	-0.090	2.343	-0.885
H9	0.090	-2.343	0.885
H10	0.090	-2.343	-0.885

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2678	1.4899	2.2781	2.1421	2.3481	2.0969	2.0969	2.9941	2.9941
N2	1.2678		2.2781	1.4899	2.3481	2.1421	2.9941	2.9941	2.0969	2.0969
C3	1.4899	2.2781		3.6348	1.0916	3.8357	1.0919	1.0919	4.2394	4.2394
C4	2.2781	1.4899	3.6348		3.8357	1.0916	4.2394	4.2394	1.0919	1.0919
H5	2.1421	2.3481	1.0916	3.8357		4.3124	1.7993	1.7993	4.3150	4.3150
H6	2.3481	2.1421	3.8357	1.0916	4.3124		4.3150	4.3150	1.7993	1.7993
H7	2.0969	2.9941	1.0919	4.2394	1.7993	4.3150		1.7695	4.6889	5.0116
H8	2.0969	2.9941	1.0919	4.2394	1.7993	4.3150	1.7695		5.0116	4.6889
H9	2.9941	2.0969	4.2394	1.0919	4.3150	1.7993	4.6889	5.0116		1.7695
H10	2.9941	2.0969	4.2394	1.0919	4.3150	1.7993	5.0116	4.6889	1.7695

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	111.144	N1	C3	H5	111.216
N1	C3	H7	107.624	N1	C3	H8	107.624
N2	N1	C3	111.144	N2	C4	H6	111.216
N2	C4	H9	107.624	N2	C4	H10	107.624
H5	C3	H7	110.987	H5	C3	H8	110.987
H6	C4	H9	110.987	H6	C4	H10	110.987
H7	C3	H8	108.253	H9	C4	H10	108.253

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

using model chemistry: B1B95/3-21G

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	-0.223
2	N	-0.223
3	C	-0.468
4	C	-0.468
5	H	0.221
6	H	0.221
7	H	0.235
8	H	0.235
9	H	0.235
10	H	0.235

	x	y	z
x	4.075	-0.185	0.000
y	-0.185	7.658	0.000
z	0.000	0.000	3.619

<r²>	94.454
(<r²>)^1/2	9.719

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

using model chemistry: B1B95/3-21G

States and conformations

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