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	hartrees
Energy at 0K	-189.213351
Energy at 298.15K	-189.220775
HF Energy	-189.213351
Nuclear repulsion energy	120.038101

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3134	3024	0.00
2	A_g	3026	2920	0.00
3	A_g	1705	1645	0.00
4	A_g	1436	1386	0.00
5	A_g	1378	1330	0.00
6	A_g	1211	1169	0.00
7	A_g	929	897	0.00
8	A_g	597	576	0.00
9	A_u	3123	3014	20.33
10	A_u	1441	1390	15.44
11	A_u	1119	1080	0.63
12	A_u	291	280	5.95
13	A_u	166	160	3.17
14	B_g	3123	3014	0.00
15	B_g	1439	1389	0.00
16	B_g	1020	984	0.00
17	B_g	232	224	0.00
18	B_u	3134	3024	29.20
19	B_u	3024	2918	51.58
20	B_u	1443	1393	29.88
21	B_u	1381	1332	1.22
22	B_u	1117	1078	1.05
23	B_u	1045	1009	13.16
24	B_u	349	337	14.60

Atom	x (Å)	y (Å)	z (Å)
N1	0.372	0.496	0.000
N2	-0.372	-0.496	0.000
C3	-0.372	1.750	0.000
C4	0.372	-1.750	0.000
H5	-1.463	1.592	0.000
H6	1.463	-1.592	0.000
H7	-0.063	2.329	0.885
H8	-0.063	2.329	-0.885
H9	0.063	-2.329	0.885
H10	0.063	-2.329	-0.885

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2395	1.4576	2.2456	2.1370	2.3560	2.0816	2.0816	2.9766	2.9766
N2	1.2395		2.2456	1.4576	2.3560	2.1370	2.9766	2.9766	2.0816	2.0816
C3	1.4576	2.2456		3.5775	1.1023	3.8123	1.1020	1.1020	4.1965	4.1965
C4	2.2456	1.4576	3.5775		3.8123	1.1023	4.1965	4.1965	1.1020	1.1020
H5	2.1370	2.3560	1.1023	3.8123		4.3242	1.8127	1.8127	4.2998	4.2998
H6	2.3560	2.1370	3.8123	1.1023	4.3242		4.2998	4.2998	1.8127	1.8127
H7	2.0816	2.9766	1.1020	4.1965	1.8127	4.2998		1.7699	4.6603	4.9850
H8	2.0816	2.9766	1.1020	4.1965	1.8127	4.2998	1.7699		4.9850	4.6603
H9	2.9766	2.0816	4.1965	1.1020	4.2998	1.8127	4.6603	4.9850		1.7699
H10	2.9766	2.0816	4.1965	1.1020	4.2998	1.8127	4.9850	4.6603	1.7699

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	112.483	N1	C3	H5	112.449
N1	C3	H7	108.025	N1	C3	H8	108.025
N2	N1	C3	112.483	N2	C4	H6	112.449
N2	C4	H9	108.025	N2	C4	H10	108.025
H5	C3	H7	110.643	H5	C3	H8	110.643
H6	C4	H9	110.643	H6	C4	H10	110.643
H7	C3	H8	106.840	H9	C4	H10	106.840

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

using model chemistry: B3PW91/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	-0.167
2	N	-0.167
3	C	0.020
4	C	0.020
5	H	0.034
6	H	0.034
7	H	0.057
8	H	0.057
9	H	0.057
10	H	0.057

	x	y	z
x	4.890	-0.357	0.000
y	-0.357	8.522	0.000
z	0.000	0.000	4.163

<r²>	92.899
(<r²>)^1/2	9.638

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

using model chemistry: B3PW91/cc-pVDZ

States and conformations

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