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	hartrees
Energy at 0K	-189.044105
Energy at 298.15K	-189.051443
HF Energy	-189.044105
Nuclear repulsion energy	119.181248

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3050	3032	0.00
2	A_g	2944	2927	0.00
3	A_g	1606	1597	0.00
4	A_g	1384	1376	0.00
5	A_g	1320	1312	0.00
6	A_g	1162	1156	0.00
7	A_g	890	885	0.00
8	A_g	579	576	0.00
9	A_u	3042	3024	17.59
10	A_u	1389	1381	14.05
11	A_u	1077	1071	0.64
12	A_u	282	280	5.05
13	A_u	169	168	3.96
14	B_g	3042	3024	0.00
15	B_g	1388	1380	0.00
16	B_g	979	973	0.00
17	B_g	232	230	0.00
18	B_u	3050	3032	30.65
19	B_u	2941	2924	56.37
20	B_u	1392	1384	29.19
21	B_u	1326	1318	1.71
22	B_u	1076	1069	1.32
23	B_u	1000	994	16.83
24	B_u	339	338	14.08

Atom	x (Å)	y (Å)	z (Å)
N1	0.378	0.501	0.000
N2	-0.378	-0.501	0.000
C3	-0.378	1.758	0.000
C4	0.378	-1.758	0.000
H5	-1.477	1.597	0.000
H6	1.477	-1.597	0.000
H7	-0.066	2.344	0.890
H8	-0.066	2.344	-0.890
H9	0.066	-2.344	0.890
H10	0.066	-2.344	-0.890

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2542	1.4664	2.2581	2.1543	2.3678	2.0941	2.0941	2.9964	2.9964
N2	1.2542		2.2581	1.4664	2.3678	2.1543	2.9964	2.9964	2.0941	2.0941
C3	1.4664	2.2581		3.5952	1.1110	3.8327	1.1102	1.1102	4.2199	4.2199
C4	2.2581	1.4664	3.5952		3.8327	1.1110	4.2199	4.2199	1.1102	1.1102
H5	2.1543	2.3678	1.1110	3.8327		4.3499	1.8279	1.8279	4.3240	4.3240
H6	2.3678	2.1543	3.8327	1.1110	4.3499		4.3240	4.3240	1.8279	1.8279
H7	2.0941	2.9964	1.1102	4.2199	1.8279	4.3240		1.7798	4.6889	5.0154
H8	2.0941	2.9964	1.1102	4.2199	1.8279	4.3240	1.7798		5.0154	4.6889
H9	2.9964	2.0941	4.2199	1.1102	4.3240	1.8279	4.6889	5.0154		1.7798
H10	2.9964	2.0941	4.2199	1.1102	4.3240	1.8279	5.0154	4.6889	1.7798

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	111.963	N1	C3	H5	112.674
N1	C3	H7	107.927	N1	C3	H8	107.927
N2	N1	C3	111.963	N2	C4	H6	112.674
N2	C4	H9	107.927	N2	C4	H10	107.927
H5	C3	H7	110.751	H5	C3	H8	110.751
H6	C4	H9	110.751	H6	C4	H10	110.751
H7	C3	H8	106.561	H9	C4	H10	106.561

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

using model chemistry: PBEPBEultrafine/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	-0.147
2	N	-0.147
3	C	0.030
4	C	0.030
5	H	0.021
6	H	0.021
7	H	0.048
8	H	0.048
9	H	0.048
10	H	0.048

	x	y	z
x	5.157	-0.537	0.000
y	-0.537	9.101	0.000
z	0.000	0.000	4.292

<r²>	93.984
(<r²>)^1/2	9.695

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

using model chemistry: PBEPBEultrafine/cc-pVDZ

States and conformations

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