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	hartrees
Energy at 0K	-189.108186
Energy at 298.15K	-189.115520
HF Energy	-189.108186
Nuclear repulsion energy	119.613981

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3038	3004	0.00
2	A_g	2946	2913	0.00
3	A_g	1591	1573	0.00
4	A_g	1414	1398	0.00
5	A_g	1341	1326	0.00
6	A_g	1164	1151	0.00
7	A_g	891	881	0.00
8	A_g	580	573	0.00
9	A_u	3029	2995	13.25
10	A_u	1414	1398	17.69
11	A_u	1091	1079	1.12
12	A_u	284	281	6.92
13	A_u	159	158	2.40
14	B_g	3029	2995	0.00
15	B_g	1414	1398	0.00
16	B_g	994	983	0.00
17	B_g	220	217	0.00
18	B_u	3037	3003	31.83
19	B_u	2944	2911	51.77
20	B_u	1421	1405	35.34
21	B_u	1350	1335	4.55
22	B_u	1090	1077	1.91
23	B_u	993	982	14.33
24	B_u	342	338	17.05

Atom	x (Å)	y (Å)	z (Å)
N1	0.370	0.500	0.000
N2	-0.370	-0.500	0.000
C3	-0.370	1.762	0.000
C4	0.370	-1.762	0.000
H5	-1.460	1.610	0.000
H6	1.460	-1.610	0.000
H7	-0.056	2.337	0.884
H8	-0.056	2.337	-0.884
H9	0.056	-2.337	0.884
H10	0.056	-2.337	-0.884

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2438	1.4639	2.2616	2.1413	2.3744	2.0826	2.0826	2.9872	2.9872
N2	1.2438		2.2616	1.4639	2.3744	2.1413	2.9872	2.9872	2.0826	2.0826
C3	1.4639	2.2616		3.6012	1.1005	3.8369	1.0999	1.0999	4.2144	4.2144
C4	2.2616	1.4639	3.6012		3.8369	1.1005	4.2144	4.2144	1.0999	1.0999
H5	2.1413	2.3744	1.1005	3.8369		4.3472	1.8114	1.8114	4.3191	4.3191
H6	2.3744	2.1413	3.8369	1.1005	4.3472		4.3191	4.3191	1.8114	1.8114
H7	2.0826	2.9872	1.0999	4.2144	1.8114	4.3191		1.7673	4.6744	4.9974
H8	2.0826	2.9872	1.0999	4.2144	1.8114	4.3191	1.7673		4.9974	4.6744
H9	2.9872	2.0826	4.2144	1.0999	4.3191	1.8114	4.6744	4.9974		1.7673
H10	2.9872	2.0826	4.2144	1.0999	4.3191	1.8114	4.9974	4.6744	1.7673

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	113.029	N1	C3	H5	112.460
N1	C3	H7	107.802	N1	C3	H8	107.802
N2	N1	C3	113.029	N2	C4	H6	112.460
N2	C4	H9	107.802	N2	C4	H10	107.802
H5	C3	H7	110.819	H5	C3	H8	110.819
H6	C4	H9	110.819	H6	C4	H10	110.819
H7	C3	H8	106.908	H9	C4	H10	106.908

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

using model chemistry: PBEPBEultrafine/aug-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	-0.232
2	N	-0.232
3	C	-0.526
4	C	-0.526
5	H	0.284
6	H	0.284
7	H	0.236
8	H	0.236
9	H	0.236
10	H	0.236

	x	y	z
x	6.883	-0.462	0.000
y	-0.462	10.273	0.000
z	0.000	0.000	5.633

<r²>	94.217
(<r²>)^1/2	9.707

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

using model chemistry: PBEPBEultrafine/aug-cc-pVTZ

States and conformations

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