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	hartrees
Energy at 0K	-189.100449
Energy at 298.15K	-189.107783
HF Energy	-189.100449
Nuclear repulsion energy	119.528473

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3044	3010	0.00
2	A_g	2950	2917	0.00
3	A_g	1592	1574	0.00
4	A_g	1416	1400	0.00
5	A_g	1350	1335	0.00
6	A_g	1166	1153	0.00
7	A_g	890	880	0.00
8	A_g	581	574	0.00
9	A_u	3036	3002	19.15
10	A_u	1420	1404	18.88
11	A_u	1096	1083	0.53
12	A_u	286	282	6.82
13	A_u	159	157	3.24
14	B_g	3037	3003	0.00
15	B_g	1419	1403	0.00
16	B_g	999	988	0.00
17	B_g	222	220	0.00
18	B_u	3044	3010	34.23
19	B_u	2948	2915	51.35
20	B_u	1423	1407	34.86
21	B_u	1358	1343	5.48
22	B_u	1096	1083	0.71
23	B_u	989	978	13.79
24	B_u	340	337	15.84

Atom	x (Å)	y (Å)	z (Å)
N1	0.373	0.499	0.000
N2	-0.373	-0.499	0.000
C3	-0.373	1.761	0.000
C4	0.373	-1.761	0.000
H5	-1.464	1.607	0.000
H6	1.464	-1.607	0.000
H7	-0.060	2.338	0.884
H8	-0.060	2.338	-0.884
H9	0.060	-2.338	0.884
H10	0.060	-2.338	-0.884

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2460	1.4654	2.2602	2.1443	2.3718	2.0855	2.0855	2.9882	2.9882
N2	1.2460		2.2602	1.4654	2.3718	2.1443	2.9882	2.9882	2.0855	2.0855
C3	1.4654	2.2602		3.5999	1.1017	3.8358	1.1009	1.1009	4.2154	4.2154
C4	2.2602	1.4654	3.5999		3.8358	1.1017	4.2154	4.2154	1.1009	1.1009
H5	2.1443	2.3718	1.1017	3.8358		4.3468	1.8129	1.8129	4.3201	4.3201
H6	2.3718	2.1443	3.8358	1.1017	4.3468		4.3201	4.3201	1.8129	1.8129
H7	2.0855	2.9882	1.1009	4.2154	1.8129	4.3201		1.7674	4.6777	5.0005
H8	2.0855	2.9882	1.1009	4.2154	1.8129	4.3201	1.7674		5.0005	4.6777
H9	2.9882	2.0855	4.2154	1.1009	4.3201	1.8129	4.6777	5.0005		1.7674
H10	2.9882	2.0855	4.2154	1.1009	4.3201	1.8129	5.0005	4.6777	1.7674

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	112.689	N1	C3	H5	112.529
N1	C3	H7	107.863	N1	C3	H8	107.863
N2	N1	C3	112.689	N2	C4	H6	112.529
N2	C4	H9	107.863	N2	C4	H10	107.863
H5	C3	H7	110.788	H5	C3	H8	110.788
H6	C4	H9	110.788	H6	C4	H10	110.788
H7	C3	H8	106.775	H9	C4	H10	106.775

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

using model chemistry: PBEPBE/TZVP

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	-0.069
2	N	-0.069
3	C	-0.329
4	C	-0.329
5	H	0.120
6	H	0.120
7	H	0.139
8	H	0.139
9	H	0.139
10	H	0.139

	x	y	z
x	5.704	-0.299	0.000
y	-0.299	9.401	0.000
z	0.000	0.000	4.895

<r²>	94.079
(<r²>)^1/2	9.699

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

using model chemistry: PBEPBE/TZVP

States and conformations

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