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	hartrees
Energy at 0K	-189.264049
Energy at 298.15K	-189.271488
HF Energy	-189.264049
Nuclear repulsion energy	120.579063

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3144	3000	0.00
2	A_g	3047	2908	0.00
3	A_g	1723	1644	0.00
4	A_g	1491	1423	0.00
5	A_g	1424	1359	0.00
6	A_g	1234	1178	0.00
7	A_g	948	905	0.00
8	A_g	605	578	0.00
9	A_u	3133	2990	33.31
10	A_u	1490	1423	19.36
11	A_u	1151	1099	1.11
12	A_u	295	282	6.61
13	A_u	158	151	2.71
14	B_g	3133	2990	0.00
15	B_g	1490	1422	0.00
16	B_g	1054	1006	0.00
17	B_g	225	215	0.00
18	B_u	3143	3000	41.27
19	B_u	3046	2907	55.70
20	B_u	1499	1430	36.23
21	B_u	1427	1362	4.63
22	B_u	1153	1101	1.22
23	B_u	1057	1009	11.10
24	B_u	353	337	14.71

Atom	x (Å)	y (Å)	z (Å)
N1	0.368	0.494	0.000
N2	-0.368	-0.494	0.000
C3	-0.368	1.748	0.000
C4	0.368	-1.748	0.000
H5	-1.449	1.592	0.000
H6	1.449	-1.592	0.000
H7	-0.060	2.319	0.879
H8	-0.060	2.319	-0.879
H9	0.060	-2.319	0.879
H10	0.060	-2.319	-0.879

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2313	1.4539	2.2416	2.1229	2.3492	2.0707	2.0707	2.9630	2.9630
N2	1.2313		2.2416	1.4539	2.3492	2.1229	2.9630	2.9630	2.0707	2.0707
C3	1.4539	2.2416		3.5722	1.0925	3.8018	1.0924	1.0924	4.1828	4.1828
C4	2.2416	1.4539	3.5722		3.8018	1.0925	4.1828	4.1828	1.0924	1.0924
H5	2.1229	2.3492	1.0925	3.8018		4.3051	1.7973	1.7973	4.2832	4.2832
H6	2.3492	2.1229	3.8018	1.0925	4.3051		4.2832	4.2832	1.7973	1.7973
H7	2.0707	2.9630	1.0924	4.1828	1.7973	4.2832		1.7578	4.6398	4.9616
H8	2.0707	2.9630	1.0924	4.1828	1.7973	4.2832	1.7578		4.9616	4.6398
H9	2.9630	2.0707	4.1828	1.0924	4.2832	1.7973	4.6398	4.9616		1.7578
H10	2.9630	2.0707	4.1828	1.0924	4.2832	1.7973	4.9616	4.6398	1.7578

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	112.928	N1	C3	H5	112.177
N1	C3	H7	107.983	N1	C3	H8	107.983
N2	N1	C3	112.928	N2	C4	H6	112.177
N2	C4	H9	107.983	N2	C4	H10	107.983
H5	C3	H7	110.685	H5	C3	H8	110.685
H6	C4	H9	110.685	H6	C4	H10	110.685
H7	C3	H8	107.137	H9	C4	H10	107.137

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

using model chemistry: mPW1PW91/6-311G*

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	-0.136
2	N	-0.136
3	C	-0.539
4	C	-0.539
5	H	0.210
6	H	0.210
7	H	0.233
8	H	0.233
9	H	0.233
10	H	0.233

	x	y	z
x	5.007	-0.239	0.000
y	-0.239	8.428	0.000
z	0.000	0.000	4.245

<r²>	92.551
(<r²>)^1/2	9.620

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

using model chemistry: mPW1PW91/6-311G*

States and conformations

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