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	hartrees
Energy at 0K	-189.210419
Energy at 298.15K	-189.217950
HF Energy	-189.210419
Nuclear repulsion energy	120.152138

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3154	3154	0.00
2	A_g	3055	3055	0.00
3	A_g	1752	1752	0.00
4	A_g	1452	1452	0.00
5	A_g	1395	1395	0.00
6	A_g	1228	1228	0.00
7	A_g	952	952	0.00
8	A_g	613	613	0.00
9	A_u	3154	3154	16.25
10	A_u	1453	1453	19.40
11	A_u	1131	1131	1.14
12	A_u	298	298	6.90
13	A_u	194	194	1.91
14	B_g	3154	3154	0.00
15	B_g	1452	1452	0.00
16	B_g	1038	1038	0.00
17	B_g	235	235	0.00
18	B_u	3154	3154	22.01
19	B_u	3054	3054	44.33
20	B_u	1458	1458	33.05
21	B_u	1396	1396	3.26
22	B_u	1135	1135	1.60
23	B_u	1069	1069	7.08
24	B_u	361	361	15.81

Atom	x (Å)	y (Å)	z (Å)
N1	0.369	0.494	0.000
N2	-0.369	-0.494	0.000
C3	-0.369	1.756	0.000
C4	0.369	-1.756	0.000
H5	-1.453	1.590	0.000
H6	1.453	-1.590	0.000
H7	-0.058	2.324	0.885
H8	-0.058	2.324	-0.885
H9	0.058	-2.324	0.885
H10	0.058	-2.324	-0.885

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2324	1.4623	2.2495	2.1269	2.3492	2.0778	2.0778	2.9697	2.9697
N2	1.2324		2.2495	1.4623	2.3492	2.1269	2.9697	2.9697	2.0778	2.0778
C3	1.4623	2.2495		3.5886	1.0969	3.8104	1.0967	1.0967	4.1968	4.1968
C4	2.2495	1.4623	3.5886		3.8104	1.0969	4.1968	4.1968	1.0967	1.0967
H5	2.1269	2.3492	1.0969	3.8104		4.3088	1.8076	1.8076	4.2887	4.2887
H6	2.3492	2.1269	3.8104	1.0969	4.3088		4.2887	4.2887	1.8076	1.8076
H7	2.0778	2.9697	1.0967	4.1968	1.8076	4.2887		1.7703	4.6498	4.9754
H8	2.0778	2.9697	1.0967	4.1968	1.8076	4.2887	1.7703		4.9754	4.6498
H9	2.9697	2.0778	4.1968	1.0967	4.2887	1.8076	4.6498	4.9754		1.7703
H10	2.9697	2.0778	4.1968	1.0967	4.2887	1.8076	4.9754	4.6498	1.7703

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	112.908	N1	C3	H5	111.630
N1	C3	H7	107.722	N1	C3	H8	107.722
N2	N1	C3	112.908	N2	C4	H6	111.630
N2	C4	H9	107.722	N2	C4	H10	107.722
H5	C3	H7	110.982	H5	C3	H8	110.982
H6	C4	H9	110.982	H6	C4	H10	110.982
H7	C3	H8	107.627	H9	C4	H10	107.627

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

using model chemistry: M06-2X/aug-cc-pVDZ

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	-0.343
2	N	-0.343
3	C	1.038
4	C	1.038
5	H	-0.276
6	H	-0.276
7	H	-0.210
8	H	-0.210
9	H	-0.210
10	H	-0.210

	x	y	z
x	6.100	-0.239	0.000
y	-0.239	9.242	0.000
z	0.000	0.000	5.256

<r²>	93.309
(<r²>)^1/2	9.660

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

using model chemistry: M06-2X/aug-cc-pVDZ

States and conformations

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