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	hartrees
Energy at 0K	-189.111112
Energy at 298.15K	-189.118464
HF Energy	-189.111112
Nuclear repulsion energy	119.629219

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3038	3002	0.00
2	A_g	2946	2910	0.00
3	A_g	1594	1574	0.00
4	A_g	1415	1398	0.00
5	A_g	1345	1329	0.00
6	A_g	1167	1153	0.00
7	A_g	893	882	0.00
8	A_g	582	575	0.00
9	A_u	3030	2993	16.75
10	A_u	1415	1398	16.17
11	A_u	1092	1079	0.66
12	A_u	285	282	6.40
13	A_u	169	167	2.72
14	B_g	3030	2994	0.00
15	B_g	1415	1398	0.00
16	B_g	995	983	0.00
17	B_g	228	225	0.00
18	B_u	3038	3001	33.91
19	B_u	2944	2908	52.63
20	B_u	1422	1405	34.44
21	B_u	1353	1336	4.18
22	B_u	1093	1079	1.41
23	B_u	994	982	13.79
24	B_u	343	339	16.28

Atom	x (Å)	y (Å)	z (Å)
N1	0.365	0.499	0.000
N2	-0.365	-0.499	0.000
C3	-0.365	1.767	0.000
C4	0.365	-1.767	0.000
H5	-1.456	1.622	0.000
H6	1.456	-1.622	0.000
H7	-0.051	2.340	0.884
H8	-0.051	2.340	-0.884
H9	0.051	-2.340	0.884
H10	0.051	-2.340	-0.884

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2367	1.4637	2.2660	2.1403	2.3853	2.0839	2.0839	2.9894	2.9894
N2	1.2367		2.2660	1.4637	2.3853	2.1403	2.9894	2.9894	2.0839	2.0839
C3	1.4637	2.2660		3.6091	1.1006	3.8481	1.0989	1.0989	4.2213	4.2213
C4	2.2660	1.4637	3.6091		3.8481	1.1006	4.2213	4.2213	1.0989	1.0989
H5	2.1403	2.3853	1.1006	3.8481		4.3603	1.8085	1.8085	4.3301	4.3301
H6	2.3853	2.1403	3.8481	1.1006	4.3603		4.3301	4.3301	1.8085	1.8085
H7	2.0839	2.9894	1.0989	4.2213	1.8085	4.3301		1.7677	4.6802	5.0029
H8	2.0839	2.9894	1.0989	4.2213	1.8085	4.3301	1.7677		5.0029	4.6802
H9	2.9894	2.0839	4.2213	1.0989	4.3301	1.8085	4.6802	5.0029		1.7677
H10	2.9894	2.0839	4.2213	1.0989	4.3301	1.8085	5.0029	4.6802	1.7677

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	113.836	N1	C3	H5	112.385
N1	C3	H7	107.967	N1	C3	H8	107.967
N2	N1	C3	113.836	N2	C4	H6	112.385
N2	C4	H9	107.967	N2	C4	H10	107.967
H5	C3	H7	110.619	H5	C3	H8	110.619
H6	C4	H9	110.619	H6	C4	H10	110.619
H7	C3	H8	107.084	H9	C4	H10	107.084

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

using model chemistry: PBEPBE/Def2TZVPP

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	-0.113
2	N	-0.113
3	C	-0.160
4	C	-0.160
5	H	0.078
6	H	0.078
7	H	0.098
8	H	0.098
9	H	0.098
10	H	0.098

	x	y	z
x	5.924	-0.428	0.000
y	-0.428	9.681	0.000
z	0.000	0.000	5.073

<r²>	93.973
(<r²>)^1/2	9.694

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

using model chemistry: PBEPBE/Def2TZVPP

States and conformations

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