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	hartrees
Energy at 0K	-189.089843
Energy at 298.15K	-189.097276
HF Energy	-189.089843
Nuclear repulsion energy	120.260624

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3145	3026	0.00
2	A_g	3038	2923	0.00
3	A_g	1720	1655	0.00
4	A_g	1442	1387	0.00
5	A_g	1385	1333	0.00
6	A_g	1221	1174	0.00
7	A_g	943	907	0.00
8	A_g	604	581	0.00
9	A_u	3134	3015	17.19
10	A_u	1443	1388	18.55
11	A_u	1125	1083	1.12
12	A_u	293	282	7.14
13	A_u	160	154	2.02
14	B_g	3134	3016	0.00
15	B_g	1442	1387	0.00
16	B_g	1027	988	0.00
17	B_g	223	214	0.00
18	B_u	3144	3025	30.84
19	B_u	3037	2922	49.45
20	B_u	1448	1394	34.04
21	B_u	1389	1336	3.33
22	B_u	1126	1084	1.70
23	B_u	1066	1025	10.68
24	B_u	354	340	16.77

Atom	x (Å)	y (Å)	z (Å)
N1	0.368	0.496	0.000
N2	-0.368	-0.496	0.000
C3	-0.368	1.751	0.000
C4	0.368	-1.751	0.000
H5	-1.456	1.594	0.000
H6	1.456	-1.594	0.000
H7	-0.056	2.325	0.884
H8	-0.056	2.325	-0.884
H9	0.056	-2.325	0.884
H10	0.056	-2.325	-0.884

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2353	1.4545	2.2474	2.1282	2.3562	2.0748	2.0748	2.9726	2.9726
N2	1.2353		2.2474	1.4545	2.3562	2.1282	2.9726	2.9726	2.0748	2.0748
C3	1.4545	2.2474		3.5787	1.0991	3.8096	1.0989	1.0989	4.1922	4.1922
C4	2.2474	1.4545	3.5787		3.8096	1.0991	4.1922	4.1922	1.0989	1.0989
H5	2.1282	2.3562	1.0991	3.8096		4.3170	1.8093	1.8093	4.2922	4.2922
H6	2.3562	2.1282	3.8096	1.0991	4.3170		4.2922	4.2922	1.8093	1.8093
H7	2.0748	2.9726	1.0989	4.1922	1.8093	4.2922		1.7680	4.6509	4.9756
H8	2.0748	2.9726	1.0989	4.1922	1.8093	4.2922	1.7680		4.9756	4.6509
H9	2.9726	2.0748	4.1922	1.0989	4.2922	1.8093	4.6509	4.9756		1.7680
H10	2.9726	2.0748	4.1922	1.0989	4.2922	1.8093	4.9756	4.6509	1.7680

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	113.087	N1	C3	H5	112.146
N1	C3	H7	107.885	N1	C3	H8	107.885
N2	N1	C3	113.087	N2	C4	H6	112.146
N2	C4	H9	107.885	N2	C4	H10	107.885
H5	C3	H7	110.801	H5	C3	H8	110.801
H6	C4	H9	110.801	H6	C4	H10	110.801
H7	C3	H8	107.123	H9	C4	H10	107.123

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

using model chemistry: HSEh1PBE/aug-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	-0.406
2	N	-0.406
3	C	0.830
4	C	0.830
5	H	-0.167
6	H	-0.167
7	H	-0.128
8	H	-0.128
9	H	-0.128
10	H	-0.128

	x	y	z
x	6.320	-0.291	0.000
y	-0.291	9.538	0.000
z	0.000	0.000	5.336

<r²>	93.160
(<r²>)^1/2	9.652

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

using model chemistry: HSEh1PBE/aug-cc-pVDZ

States and conformations

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