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	hartrees
Energy at 0K	-188.251927
Energy at 298.15K	-188.259331
HF Energy	-188.251927
Nuclear repulsion energy	120.533622

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3055	3021	0.00
2	A_g	2941	2909	0.00
3	A_g	1668	1650	0.00
4	A_g	1358	1344	0.00
5	A_g	1302	1287	0.00
6	A_g	1182	1169	0.00
7	A_g	916	906	0.00
8	A_g	596	589	0.00
9	A_u	3049	3016	5.27
10	A_u	1363	1348	20.00
11	A_u	1067	1056	0.02
12	A_u	288	285	5.34
13	A_u	176	175	5.87
14	B_g	3049	3016	0.00
15	B_g	1362	1347	0.00
16	B_g	973	962	0.00
17	B_g	247	245	0.00
18	B_u	3054	3021	19.81
19	B_u	2939	2907	44.72
20	B_u	1369	1354	37.13
21	B_u	1307	1293	10.75
22	B_u	1068	1056	16.16
23	B_u	1066	1054	8.46
24	B_u	345	341	16.72

Atom	x (Å)	y (Å)	z (Å)
N1	0.371	0.499	0.000
N2	-0.371	-0.499	0.000
C3	-0.371	1.731	0.000
C4	0.371	-1.731	0.000
H5	-1.470	1.560	0.000
H6	1.470	-1.560	0.000
H7	-0.062	2.324	0.887
H8	-0.062	2.324	-0.887
H9	0.062	-2.324	0.887
H10	0.062	-2.324	-0.887

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2432	1.4379	2.2303	2.1249	2.3346	2.0753	2.0753	2.9756	2.9756
N2	1.2432		2.2303	1.4379	2.3346	2.1249	2.9756	2.9756	2.0753	2.0753
C3	1.4379	2.2303		3.5409	1.1128	3.7714	1.1111	1.1111	4.1740	4.1740
C4	2.2303	1.4379	3.5409		3.7714	1.1128	4.1740	4.1740	1.1111	1.1111
H5	2.1249	2.3346	1.1128	3.7714		4.2878	1.8314	1.8314	4.2693	4.2693
H6	2.3346	2.1249	3.7714	1.1128	4.2878		4.2693	4.2693	1.8314	1.8314
H7	2.0753	2.9756	1.1111	4.1740	1.8314	4.2693		1.7750	4.6504	4.9776
H8	2.0753	2.9756	1.1111	4.1740	1.8314	4.2693	1.7750		4.9776	4.6504
H9	2.9756	2.0753	4.1740	1.1111	4.2693	1.8314	4.6504	4.9776		1.7750
H10	2.9756	2.0753	4.1740	1.1111	4.2693	1.8314	4.9776	4.6504	1.7750

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	112.369	N1	C3	H5	112.200
N1	C3	H7	108.319	N1	C3	H8	108.319
N2	N1	C3	112.369	N2	C4	H6	112.200
N2	C4	H9	108.319	N2	C4	H10	108.319
H5	C3	H7	110.873	H5	C3	H8	110.873
H6	C4	H9	110.873	H6	C4	H10	110.873
H7	C3	H8	106.015	H9	C4	H10	106.015

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

using model chemistry: LSDA/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	-0.126
2	N	-0.126
3	C	-0.093
4	C	-0.093
5	H	0.051
6	H	0.051
7	H	0.084
8	H	0.084
9	H	0.084
10	H	0.084

	x	y	z
x	5.193	-0.521	0.000
y	-0.521	9.065	0.000
z	0.000	0.000	4.311

<r²>	92.030
(<r²>)^1/2	9.593

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

using model chemistry: LSDA/cc-pVDZ

States and conformations

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