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	hartrees
Energy at 0K	-189.081506
Energy at 298.15K	-189.088925
HF Energy	-188.873345
Nuclear repulsion energy	119.641667

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3155	3024	0.00
2	A_g	3049	2922	0.00
3	A_g	1646	1577	0.00
4	A_g	1458	1398	0.00
5	A_g	1397	1339	0.00
6	A_g	1215	1165	0.00
7	A_g	933	894	0.00
8	A_g	599	574	0.00
9	A_u	3144	3014	25.98
10	A_u	1465	1404	13.02
11	A_u	1132	1085	1.61
12	A_u	290	278	5.34
13	A_u	161	155	2.50
14	B_g	3144	3014	0.00
15	B_g	1464	1403	0.00
16	B_g	1034	991	0.00
17	B_g	224	215	0.00
18	B_u	3154	3023	29.91
19	B_u	3048	2921	50.15
20	B_u	1466	1405	25.15
21	B_u	1400	1341	1.23
22	B_u	1130	1083	1.50
23	B_u	1040	997	9.28
24	B_u	353	339	13.42

Atom	x (Å)	y (Å)	z (Å)
N1	0.376	0.498	0.000
N2	-0.376	-0.498	0.000
C3	-0.376	1.755	0.000
C4	0.376	-1.755	0.000
H5	-1.464	1.587	0.000
H6	1.464	-1.587	0.000
H7	-0.072	2.333	0.886
H8	-0.072	2.333	-0.886
H9	0.072	-2.333	0.886
H10	0.072	-2.333	-0.886

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2481	1.4651	2.2535	2.1379	2.3514	2.0863	2.0863	2.9820	2.9820
N2	1.2481		2.2535	1.4651	2.3514	2.1379	2.9820	2.9820	2.0863	2.0863
C3	1.4651	2.2535		3.5905	1.1010	3.8150	1.1008	1.1008	4.2072	4.2072
C4	2.2535	1.4651	3.5905		3.8150	1.1010	4.2072	4.2072	1.1008	1.1008
H5	2.1379	2.3514	1.1010	3.8150		4.3176	1.8115	1.8115	4.3018	4.3018
H6	2.3514	2.1379	3.8150	1.1010	4.3176		4.3018	4.3018	1.8115	1.8115
H7	2.0863	2.9820	1.1008	4.2072	1.8115	4.3018		1.7725	4.6680	4.9932
H8	2.0863	2.9820	1.1008	4.2072	1.8115	4.3018	1.7725		4.9932	4.6680
H9	2.9820	2.0863	4.2072	1.1008	4.3018	1.8115	4.6680	4.9932		1.7725
H10	2.9820	2.0863	4.2072	1.1008	4.3018	1.8115	4.9932	4.6680	1.7725

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	112.066	N1	C3	H5	112.059
N1	C3	H7	107.957	N1	C3	H8	107.957
N2	N1	C3	112.066	N2	C4	H6	112.059
N2	C4	H9	107.957	N2	C4	H10	107.957
H5	C3	H7	110.719	H5	C3	H8	110.719
H6	C4	H9	110.719	H6	C4	H10	110.719
H7	C3	H8	107.248	H9	C4	H10	107.248

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

using model chemistry: B2PLYP=FULL/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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All results from a given calculation for CH3NNCH3 ((E)-1,2-Dimethyldiazene)

using model chemistry: B2PLYP=FULL/cc-pVDZ

States and conformations

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