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	hartrees
Energy at 0K	-189.103796
Energy at 298.15K	-189.111141
HF Energy	-189.103796
Nuclear repulsion energy	119.629632

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3037	3016	0.00
2	A_g	2946	2925	0.00
3	A_g	1592	1581	0.00
4	A_g	1413	1404	0.00
5	A_g	1341	1332	0.00
6	A_g	1164	1156	0.00
7	A_g	890	884	0.00
8	A_g	581	577	0.00
9	A_u	3028	3007	18.15
10	A_u	1416	1406	15.05
11	A_u	1090	1082	0.82
12	A_u	283	281	5.98
13	A_u	163	162	2.71
14	B_g	3028	3007	0.00
15	B_g	1415	1405	0.00
16	B_g	992	986	0.00
17	B_g	226	225	0.00
18	B_u	3036	3016	34.39
19	B_u	2944	2924	53.40
20	B_u	1421	1411	34.01
21	B_u	1349	1339	4.02
22	B_u	1091	1084	1.65
23	B_u	990	983	14.09
24	B_u	341	338	15.89

Atom	x (Å)	y (Å)	z (Å)
N1	0.373	0.499	0.000
N2	-0.373	-0.499	0.000
C3	-0.373	1.759	0.000
C4	0.373	-1.759	0.000
H5	-1.462	1.604	0.000
H6	1.462	-1.604	0.000
H7	-0.061	2.336	0.883
H8	-0.061	2.336	-0.883
H9	0.061	-2.336	0.883
H10	0.061	-2.336	-0.883

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2455	1.4641	2.2579	2.1419	2.3680	2.0842	2.0842	2.9857	2.9857
N2	1.2455		2.2579	1.4641	2.3680	2.1419	2.9857	2.9857	2.0842	2.0842
C3	1.4641	2.2579		3.5961	1.1007	3.8306	1.1001	1.1001	4.2116	4.2116
C4	2.2579	1.4641	3.5961		3.8306	1.1007	4.2116	4.2116	1.1001	1.1001
H5	2.1419	2.3680	1.1007	3.8306		4.3404	1.8111	1.8111	4.3153	4.3153
H6	2.3680	2.1419	3.8306	1.1007	4.3404		4.3153	4.3153	1.8111	1.8111
H7	2.0842	2.9857	1.1001	4.2116	1.8111	4.3153		1.7666	4.6737	4.9964
H8	2.0842	2.9857	1.1001	4.2116	1.8111	4.3153	1.7666		4.9964	4.6737
H9	2.9857	2.0842	4.2116	1.1001	4.3153	1.8111	4.6737	4.9964		1.7666
H10	2.9857	2.0842	4.2116	1.1001	4.3153	1.8111	4.9964	4.6737	1.7666

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	112.630	N1	C3	H5	112.487
N1	C3	H7	107.895	N1	C3	H8	107.895
N2	N1	C3	112.630	N2	C4	H6	112.487
N2	C4	H9	107.895	N2	C4	H10	107.895
H5	C3	H7	110.758	H5	C3	H8	110.758
H6	C4	H9	110.758	H6	C4	H10	110.758
H7	C3	H8	106.819	H9	C4	H10	106.819

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

using model chemistry: PBEPBE/cc-pVTZ

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	-0.093
2	N	-0.093
3	C	-0.155
4	C	-0.155
5	H	0.061
6	H	0.061
7	H	0.093
8	H	0.093
9	H	0.093
10	H	0.093

	x	y	z
x	5.852	-0.504	0.000
y	-0.504	9.624	0.000
z	0.000	0.000	4.905

<r²>	93.889
(<r²>)^1/2	9.690

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

using model chemistry: PBEPBE/cc-pVTZ

States and conformations

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