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	hartrees
Energy at 0K	-189.287830
Energy at 298.15K	-189.295239
HF Energy	-189.287830
Nuclear repulsion energy	119.908996

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3115	3006	0.00
2	A_g	3022	2916	0.00
3	A_g	1674	1615	0.00
4	A_g	1469	1418	0.00
5	A_g	1408	1358	0.00
6	A_g	1212	1170	0.00
7	A_g	922	889	0.00
8	A_g	595	574	0.00
9	A_u	3098	2990	26.55
10	A_u	1474	1422	11.00
11	A_u	1138	1098	0.76
12	A_u	290	280	6.24
13	A_u	163	157	2.30
14	B_g	3098	2990	0.00
15	B_g	1473	1421	0.00
16	B_g	1038	1001	0.00
17	B_g	226	219	0.00
18	B_u	3114	3005	35.56
19	B_u	3021	2915	46.49
20	B_u	1476	1424	21.60
21	B_u	1410	1360	1.33
22	B_u	1137	1098	0.81
23	B_u	1019	983	8.83
24	B_u	349	337	14.92

Atom	x (Å)	y (Å)	z (Å)
N1	0.371	0.496	0.000
N2	-0.371	-0.496	0.000
C3	-0.371	1.758	0.000
C4	0.371	-1.758	0.000
H5	-1.455	1.603	0.000
H6	1.455	-1.603	0.000
H7	-0.065	2.332	0.881
H8	-0.065	2.332	-0.881
H9	0.065	-2.332	0.881
H10	0.065	-2.332	-0.881

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2390	1.4643	2.2534	2.1363	2.3624	2.0829	2.0829	2.9777	2.9777
N2	1.2390		2.2534	1.4643	2.3624	2.1363	2.9777	2.9777	2.0829	2.0829
C3	1.4643	2.2534		3.5929	1.0948	3.8253	1.0954	1.0954	4.2062	4.2062
C4	2.2534	1.4643	3.5929		3.8253	1.0948	4.2062	4.2062	1.0954	1.0954
H5	2.1363	2.3624	1.0948	3.8253		4.3306	1.8001	1.8001	4.3098	4.3098
H6	2.3624	2.1363	3.8253	1.0948	4.3306		4.3098	4.3098	1.8001	1.8001
H7	2.0829	2.9777	1.0954	4.2062	1.8001	4.3098		1.7618	4.6659	4.9875
H8	2.0829	2.9777	1.0954	4.2062	1.8001	4.3098	1.7618		4.9875	4.6659
H9	2.9777	2.0829	4.2062	1.0954	4.3098	1.8001	4.6659	4.9875		1.7618
H10	2.9777	2.0829	4.2062	1.0954	4.3098	1.8001	4.9875	4.6659	1.7618

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	112.671	N1	C3	H5	112.382
N1	C3	H7	108.054	N1	C3	H8	108.054
N2	N1	C3	112.671	N2	C4	H6	112.382
N2	C4	H9	108.054	N2	C4	H10	108.054
H5	C3	H7	110.549	H5	C3	H8	110.549
H6	C4	H9	110.549	H6	C4	H10	110.549
H7	C3	H8	107.060	H9	C4	H10	107.060

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

using model chemistry: B3LYP/6-31G(2df,p)

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	-0.104
2	N	-0.104
3	C	-0.287
4	C	-0.287
5	H	0.122
6	H	0.122
7	H	0.135
8	H	0.135
9	H	0.135
10	H	0.135

	x	y	z
x	4.777	-0.269	0.000
y	-0.269	8.337	0.000
z	0.000	0.000	4.263

<r²>	93.263
(<r²>)^1/2	9.657

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

using model chemistry: B3LYP/6-31G(2df,p)

States and conformations

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