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	hartrees
Energy at 0K	-189.351798
Energy at 298.15K	-189.359207
HF Energy	-189.351798
Nuclear repulsion energy	120.171230

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3101	3000	0.00
2	A_g	3017	2919	0.00
3	A_g	1670	1616	0.00
4	A_g	1472	1424	0.00
5	A_g	1407	1361	0.00
6	A_g	1208	1169	0.00
7	A_g	922	892	0.00
8	A_g	594	575	0.00
9	A_u	3090	2990	19.33
10	A_u	1473	1425	16.70
11	A_u	1138	1101	1.59
12	A_u	293	283	6.94
13	A_u	157	152	1.81
14	B_g	3091	2990	0.00
15	B_g	1472	1425	0.00
16	B_g	1043	1009	0.00
17	B_g	217	210	0.00
18	B_u	3101	3000	33.01
19	B_u	3016	2918	51.58
20	B_u	1478	1430	32.26
21	B_u	1413	1367	1.98
22	B_u	1137	1100	1.73
23	B_u	1017	984	9.22
24	B_u	352	340	16.52

Atom	x (Å)	y (Å)	z (Å)
N1	0.365	0.495	0.000
N2	-0.365	-0.495	0.000
C3	-0.365	1.762	0.000
C4	0.365	-1.762	0.000
H5	-1.446	1.615	0.000
H6	1.446	-1.615	0.000
H7	-0.053	2.328	0.879
H8	-0.053	2.328	-0.879
H9	0.053	-2.328	0.879
H10	0.053	-2.328	-0.879

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2303	1.4618	2.2571	2.1292	2.3709	2.0754	2.0754	2.9737	2.9737
N2	1.2303		2.2571	1.4618	2.3709	2.1292	2.9737	2.9737	2.0754	2.0754
C3	1.4618	2.2571		3.5984	1.0913	3.8316	1.0910	1.0910	4.2044	4.2044
C4	2.2571	1.4618	3.5984		3.8316	1.0913	4.2044	4.2044	1.0910	1.0910
H5	2.1292	2.3709	1.0913	3.8316		4.3354	1.7952	1.7952	4.3091	4.3091
H6	2.3709	2.1292	3.8316	1.0913	4.3354		4.3091	4.3091	1.7952	1.7952
H7	2.0754	2.9737	1.0910	4.2044	1.7952	4.3091		1.7572	4.6582	4.9786
H8	2.0754	2.9737	1.0910	4.2044	1.7952	4.3091	1.7572		4.9786	4.6582
H9	2.9737	2.0754	4.2044	1.0910	4.3091	1.7952	4.6582	4.9786		1.7572
H10	2.9737	2.0754	4.2044	1.0910	4.3091	1.7952	4.9786	4.6582	1.7572

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	113.667	N1	C3	H5	112.203
N1	C3	H7	107.895	N1	C3	H8	107.895
N2	N1	C3	113.667	N2	C4	H6	112.203
N2	C4	H9	107.895	N2	C4	H10	107.895
H5	C3	H7	110.691	H5	C3	H8	110.691
H6	C4	H9	110.691	H6	C4	H10	110.691
H7	C3	H8	107.275	H9	C4	H10	107.275

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

using model chemistry: B3LYPultrafine/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	-0.240
2	N	-0.240
3	C	-0.565
4	C	-0.565
5	H	0.311
6	H	0.311
7	H	0.247
8	H	0.247
9	H	0.247
10	H	0.247

	x	y	z
x	6.416	-0.320	0.000
y	-0.320	9.604	0.000
z	0.000	0.000	5.391

<r²>	93.747
(<r²>)^1/2	9.682

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

using model chemistry: B3LYPultrafine/aug-cc-pVTZ

States and conformations

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