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	hartrees
Energy at 0K	-189.347778
Energy at 298.15K	-189.355195
HF Energy	-189.347778
Nuclear repulsion energy	120.183637

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3100	2997	0.00
2	A_g	3016	2915	0.00
3	A_g	1671	1615	0.00
4	A_g	1472	1423	0.00
5	A_g	1407	1360	0.00
6	A_g	1209	1168	0.00
7	A_g	921	891	0.00
8	A_g	596	576	0.00
9	A_u	3088	2985	24.82
10	A_u	1474	1424	14.43
11	A_u	1137	1099	1.37
12	A_u	291	281	6.14
13	A_u	159	154	1.97
14	B_g	3089	2985	0.00
15	B_g	1473	1424	0.00
16	B_g	1040	1006	0.00
17	B_g	222	215	0.00
18	B_u	3100	2996	36.30
19	B_u	3014	2914	52.50
20	B_u	1478	1429	30.95
21	B_u	1412	1364	1.90
22	B_u	1138	1100	1.68
23	B_u	1015	981	9.36
24	B_u	351	339	15.61

Atom	x (Å)	y (Å)	z (Å)
N1	0.367	0.495	0.000
N2	-0.367	-0.495	0.000
C3	-0.367	1.759	0.000
C4	0.367	-1.759	0.000
H5	-1.448	1.609	0.000
H6	1.448	-1.609	0.000
H7	-0.057	2.328	0.878
H8	-0.057	2.328	-0.878
H9	0.057	-2.328	0.878
H10	0.057	-2.328	-0.878

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2319	1.4617	2.2539	2.1297	2.3657	2.0767	2.0767	2.9726	2.9726
N2	1.2319		2.2539	1.4617	2.3657	2.1297	2.9726	2.9726	2.0767	2.0767
C3	1.4617	2.2539		3.5939	1.0915	3.8262	1.0913	1.0913	4.2021	4.2021
C4	2.2539	1.4617	3.5939		3.8262	1.0915	4.2021	4.2021	1.0913	1.0913
H5	2.1297	2.3657	1.0915	3.8262		4.3298	1.7950	1.7950	4.3060	4.3060
H6	2.3657	2.1297	3.8262	1.0915	4.3298		4.3060	4.3060	1.7950	1.7950
H7	2.0767	2.9726	1.0913	4.2021	1.7950	4.3060		1.7566	4.6578	4.9780
H8	2.0767	2.9726	1.0913	4.2021	1.7950	4.3060	1.7566		4.9780	4.6578
H9	2.9726	2.0767	4.2021	1.0913	4.3060	1.7950	4.6578	4.9780		1.7566
H10	2.9726	2.0767	4.2021	1.0913	4.3060	1.7950	4.9780	4.6578	1.7566

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	113.329	N1	C3	H5	112.238
N1	C3	H7	107.981	N1	C3	H8	107.981
N2	N1	C3	113.329	N2	C4	H6	112.238
N2	C4	H9	107.981	N2	C4	H10	107.981
H5	C3	H7	110.638	H5	C3	H8	110.638
H6	C4	H9	110.638	H6	C4	H10	110.638
H7	C3	H8	107.176	H9	C4	H10	107.176

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

using model chemistry: B3LYP/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	-0.102
2	N	-0.102
3	C	-0.147
4	C	-0.147
5	H	0.066
6	H	0.066
7	H	0.092
8	H	0.092
9	H	0.092
10	H	0.092

	x	y	z
x	5.571	-0.352	0.000
y	-0.352	9.079	0.000
z	0.000	0.000	4.761

<r²>	93.475
(<r²>)^1/2	9.668

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

using model chemistry: B3LYP/cc-pVTZ

States and conformations

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