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	hartrees
Energy at 0K	-188.143807
Energy at 298.15K	-188.151168
HF Energy	-188.143807
Nuclear repulsion energy	118.158821

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3146	3024	0.00
2	A_g	3049	2931	0.00
3	A_g	1549	1489	0.00
4	A_g	1477	1420	0.00
5	A_g	1399	1344	0.00
6	A_g	1186	1140	0.00
7	A_g	864	831	0.00
8	A_g	584	562	0.00
9	A_u	3133	3011	22.83
10	A_u	1536	1476	21.07
11	A_u	1140	1095	0.24
12	A_u	282	271	8.85
13	A_u	166	160	4.40
14	B_g	3133	3011	0.00
15	B_g	1534	1474	0.00
16	B_g	1040	1000	0.00
17	B_g	224	215	0.00
18	B_u	3145	3023	25.28
19	B_u	3048	2930	29.05
20	B_u	1535	1475	30.96
21	B_u	1426	1371	8.61
22	B_u	1147	1103	1.24
23	B_u	954	917	3.75
24	B_u	339	326	17.82

Atom	x (Å)	y (Å)	z (Å)
N1	0.388	0.505	0.000
N2	-0.388	-0.505	0.000
C3	-0.388	1.782	0.000
C4	0.388	-1.782	0.000
H5	-1.467	1.597	0.000
H6	1.467	-1.597	0.000
H7	-0.088	2.351	0.887
H8	-0.088	2.351	-0.887
H9	0.088	-2.351	0.887
H10	0.088	-2.351	-0.887

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2735	1.4946	2.2871	2.1527	2.3627	2.1025	2.1025	3.0051	3.0051
N2	1.2735		2.2871	1.4946	2.3627	2.1527	3.0051	3.0051	2.1025	2.1025
C3	1.4946	2.2871		3.6479	1.0948	3.8550	1.0954	1.0954	4.2537	4.2537
C4	2.2871	1.4946	3.6479		3.8550	1.0948	4.2537	4.2537	1.0954	1.0954
H5	2.1527	2.3627	1.0948	3.8550		4.3372	1.8043	1.8043	4.3348	4.3348
H6	2.3627	2.1527	3.8550	1.0948	4.3372		4.3348	4.3348	1.8043	1.8043
H7	2.1025	3.0051	1.0954	4.2537	1.8043	4.3348		1.7741	4.7046	5.0280
H8	2.1025	3.0051	1.0954	4.2537	1.8043	4.3348	1.7741		5.0280	4.7046
H9	3.0051	2.1025	4.2537	1.0954	4.3348	1.8043	4.7046	5.0280		1.7741
H10	3.0051	2.1025	4.2537	1.0954	4.3348	1.8043	5.0280	4.7046	1.7741

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	111.177	N1	C3	H5	111.545
N1	C3	H7	107.544	N1	C3	H8	107.544
N2	N1	C3	111.177	N2	C4	H6	111.545
N2	C4	H9	107.544	N2	C4	H10	107.544
H5	C3	H7	110.943	H5	C3	H8	110.943
H6	C4	H9	110.943	H6	C4	H10	110.943
H7	C3	H8	108.159	H9	C4	H10	108.159

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

using model chemistry: B3PW91/3-21G

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	-0.219
2	N	-0.219
3	C	-0.481
4	C	-0.481
5	H	0.224
6	H	0.224
7	H	0.238
8	H	0.238
9	H	0.238
10	H	0.238

	x	y	z
x	4.120	-0.213	0.000
y	-0.213	7.750	0.000
z	0.000	0.000	3.645

<r²>	95.062
(<r²>)^1/2	9.750

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

using model chemistry: B3PW91/3-21G

States and conformations

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