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	hartrees
Energy at 0K	-189.356955
Energy at 298.15K	-189.364346
HF Energy	-189.356955
Nuclear repulsion energy	120.006491

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3104	2996	0.00
2	A_g	3014	2909	0.00
3	A_g	1646	1589	0.00
4	A_g	1479	1427	0.00
5	A_g	1404	1355	0.00
6	A_g	1205	1163	0.00
7	A_g	910	879	0.00
8	A_g	582	562	0.00
9	A_u	3093	2985	22.74
10	A_u	1480	1429	14.81
11	A_u	1136	1096	2.19
12	A_u	288	278	6.75
13	A_u	160	154	1.83
14	B_g	3093	2985	0.00
15	B_g	1480	1429	0.00
16	B_g	1033	997	0.00
17	B_g	223	215	0.00
18	B_u	3103	2995	36.77
19	B_u	3012	2908	53.32
20	B_u	1486	1434	30.24
21	B_u	1410	1361	1.68
22	B_u	1132	1093	2.24
23	B_u	1007	972	9.01
24	B_u	342	330	15.69

Atom	x (Å)	y (Å)	z (Å)
N1	0.370	0.495	0.000
N2	-0.370	-0.495	0.000
C3	-0.370	1.760	0.000
C4	0.370	-1.760	0.000
H5	-1.451	1.603	0.000
H6	1.451	-1.603	0.000
H7	-0.059	2.327	0.881
H8	-0.059	2.327	-0.881
H9	0.059	-2.327	0.881
H10	0.059	-2.327	-0.881

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2363	1.4649	2.2555	2.1309	2.3606	2.0768	2.0768	2.9728	2.9728
N2	1.2363		2.2555	1.4649	2.3606	2.1309	2.9728	2.9728	2.0768	2.0768
C3	1.4649	2.2555		3.5970	1.0925	3.8242	1.0925	1.0925	4.2026	4.2026
C4	2.2555	1.4649	3.5970		3.8242	1.0925	4.2026	4.2026	1.0925	1.0925
H5	2.1309	2.3606	1.0925	3.8242		4.3242	1.7994	1.7994	4.3009	4.3009
H6	2.3606	2.1309	3.8242	1.0925	4.3242		4.3009	4.3009	1.7994	1.7994
H7	2.0768	2.9728	1.0925	4.2026	1.7994	4.3009		1.7612	4.6552	4.9773
H8	2.0768	2.9728	1.0925	4.2026	1.7994	4.3009	1.7612		4.9773	4.6552
H9	2.9728	2.0768	4.2026	1.0925	4.3009	1.7994	4.6552	4.9773		1.7612
H10	2.9728	2.0768	4.2026	1.0925	4.3009	1.7994	4.9773	4.6552	1.7612

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	112.961	N1	C3	H5	112.048
N1	C3	H7	107.709	N1	C3	H8	107.709
N2	N1	C3	112.961	N2	C4	H6	112.048
N2	C4	H9	107.709	N2	C4	H10	107.709
H5	C3	H7	110.877	H5	C3	H8	110.877
H6	C4	H9	110.877	H6	C4	H10	110.877
H7	C3	H8	107.426	H9	C4	H10	107.426

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

using model chemistry: TPSSh/aug-cc-pVTZ

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	-0.297
2	N	-0.297
3	C	-0.181
4	C	-0.181
5	H	0.203
6	H	0.203
7	H	0.138
8	H	0.138
9	H	0.138
10	H	0.138

	x	y	z
x	6.421	-0.365	0.000
y	-0.365	9.692	0.000
z	0.000	0.000	5.363

<r²>	93.572
(<r²>)^1/2	9.673

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

using model chemistry: TPSSh/aug-cc-pVTZ

States and conformations

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