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	hartrees
Energy at 0K	-188.227617
Energy at 298.15K	-188.234924
HF Energy	-188.227617
Nuclear repulsion energy	117.467035

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3132	3034	0.00
2	A_g	3039	2944	0.00
3	A_g	1550	1501	0.00
4	A_g	1455	1410	0.00
5	A_g	1368	1325	0.00
6	A_g	1171	1135	0.00
7	A_g	839	813	0.00
8	A_g	567	549	0.00
9	A_u	3118	3021	32.54
10	A_u	1543	1495	16.44
11	A_u	1134	1099	0.00
12	A_u	276	267	8.48
13	A_u	166	161	3.97
14	B_g	3118	3021	0.00
15	B_g	1541	1493	0.00
16	B_g	1029	997	0.00
17	B_g	223	216	0.00
18	B_u	3131	3033	31.91
19	B_u	3037	2942	34.63
20	B_u	1543	1495	24.67
21	B_u	1423	1378	4.83
22	B_u	1138	1103	0.46
23	B_u	920	891	3.28
24	B_u	330	319	16.41

Atom	x (Å)	y (Å)	z (Å)
N1	0.396	0.506	0.000
N2	-0.396	-0.506	0.000
C3	-0.396	1.791	0.000
C4	0.396	-1.791	0.000
H5	-1.473	1.594	0.000
H6	1.473	-1.594	0.000
H7	-0.098	2.358	0.889
H8	-0.098	2.358	-0.889
H9	0.098	-2.358	0.889
H10	0.098	-2.358	-0.889

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2855	1.5096	2.2974	2.1626	2.3600	2.1126	2.1126	3.0138	3.0138
N2	1.2855		2.2974	1.5096	2.3600	2.1626	3.0138	3.0138	2.1126	2.1126
C3	1.5096	2.2974		3.6690	1.0951	3.8668	1.0956	1.0956	4.2720	4.2720
C4	2.2974	1.5096	3.6690		3.8668	1.0951	4.2720	4.2720	1.0956	1.0956
H5	2.1626	2.3600	1.0951	3.8668		4.3406	1.8073	1.8073	4.3444	4.3444
H6	2.3600	2.1626	3.8668	1.0951	4.3406		4.3444	4.3444	1.8073	1.8073
H7	2.1126	3.0138	1.0956	4.2720	1.8073	4.3444		1.7777	4.7201	5.0438
H8	2.1126	3.0138	1.0956	4.2720	1.8073	4.3444	1.7777		5.0438	4.7201
H9	3.0138	2.1126	4.2720	1.0956	4.3444	1.8073	4.7201	5.0438		1.7777
H10	3.0138	2.1126	4.2720	1.0956	4.3444	1.8073	5.0438	4.7201	1.7777

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	110.302	N1	C3	H5	111.261
N1	C3	H7	107.304	N1	C3	H8	107.304
N2	N1	C3	110.302	N2	C4	H6	111.261
N2	C4	H9	107.304	N2	C4	H10	107.304
H5	C3	H7	111.175	H5	C3	H8	111.175
H6	C4	H9	111.175	H6	C4	H10	111.175
H7	C3	H8	108.444	H9	C4	H10	108.444

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

using model chemistry: TPSSh/3-21G

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	-0.218
2	N	-0.218
3	C	-0.453
4	C	-0.453
5	H	0.216
6	H	0.216
7	H	0.228
8	H	0.228
9	H	0.228
10	H	0.228

	x	y	z
x	4.180	-0.263	0.000
y	-0.263	7.947	0.000
z	0.000	0.000	3.675

<r²>	95.881
(<r²>)^1/2	9.792

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

using model chemistry: TPSSh/3-21G

States and conformations

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