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	hartrees
Energy at 0K	-34.661238
Energy at 298.15K	-34.668575
HF Energy	-34.661238
Nuclear repulsion energy	67.033606

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3115	3008	0.00
2	A_g	3024	2920	0.00
3	A_g	1660	1603	0.00
4	A_g	1470	1420	0.00
5	A_g	1410	1362	0.00
6	A_g	1198	1157	0.00
7	A_g	918	886	0.00
8	A_g	581	561	0.00
9	A_u	3100	2994	67.60
10	A_u	1472	1422	16.74
11	A_u	1129	1090	0.00
12	A_u	285	275	9.06
13	A_u	156	151	2.76
14	B_g	3101	2994	0.00
15	B_g	1472	1421	0.00
16	B_g	1030	994	0.00
17	B_g	217	210	0.00
18	B_u	3114	3007	63.03
19	B_u	3021	2918	77.23
20	B_u	1476	1425	28.87
21	B_u	1411	1363	0.73
22	B_u	1126	1087	0.03
23	B_u	1011	976	5.10
24	B_u	347	335	17.48

Atom	x (Å)	y (Å)	z (Å)
N1	0.380	0.504	0.000
N2	-0.380	-0.504	0.000
C3	-0.380	1.773	0.000
C4	0.380	-1.773	0.000
H5	-1.473	1.612	0.000
H6	1.473	-1.612	0.000
H7	-0.073	2.353	0.889
H8	-0.073	2.353	-0.889
H9	0.073	-2.353	0.889
H10	0.073	-2.353	-0.889

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2632	1.4789	2.2769	2.1592	2.3819	2.1010	2.1010	3.0083	3.0083
N2	1.2632		2.2769	1.4789	2.3819	2.1592	3.0083	3.0083	2.1010	2.1010
C3	1.4789	2.2769		3.6259	1.1045	3.8589	1.1052	1.1052	4.2448	4.2448
C4	2.2769	1.4789	3.6259		3.8589	1.1045	4.2448	4.2448	1.1052	1.1052
H5	2.1592	2.3819	1.1045	3.8589		4.3675	1.8163	1.8163	4.3480	4.3480
H6	2.3819	2.1592	3.8589	1.1045	4.3675		4.3480	4.3480	1.8163	1.8163
H7	2.1010	3.0083	1.1052	4.2448	1.8163	4.3480		1.7779	4.7087	5.0331
H8	2.1010	3.0083	1.1052	4.2448	1.8163	4.3480	1.7779		5.0331	4.7087
H9	3.0083	2.1010	4.2448	1.1052	4.3480	1.8163	4.7087	5.0331		1.7779
H10	3.0083	2.1010	4.2448	1.1052	4.3480	1.8163	5.0331	4.7087	1.7779

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	112.030	N1	C3	H5	112.593
N1	C3	H7	107.917	N1	C3	H8	107.917
N2	N1	C3	112.030	N2	C4	H6	112.593
N2	C4	H9	107.917	N2	C4	H10	107.917
H5	C3	H7	110.558	H5	C3	H8	110.558
H6	C4	H9	110.558	H6	C4	H10	110.558
H7	C3	H8	107.088	H9	C4	H10	107.088

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

using model chemistry: B3LYP/CEP-31G*

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	-0.031
2	N	-0.031
3	C	-0.546
4	C	-0.546
5	H	0.204
6	H	0.204
7	H	0.187
8	H	0.187
9	H	0.187
10	H	0.187

	x	y	z
x	4.350	0.019	0.000
y	0.019	8.015	0.000
z	0.000	0.000	3.820

<r²>	79.863
(<r²>)^1/2	8.937

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

using model chemistry: B3LYP/CEP-31G*

States and conformations

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