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	hartrees
Energy at 0K	-189.190640
Energy at 298.15K	-189.198079
HF Energy	-189.190640
Nuclear repulsion energy	120.644849

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3154	3021	0.00
2	A_g	3051	2922	0.00
3	A_g	1721	1648	0.00
4	A_g	1469	1407	0.00
5	A_g	1407	1347	0.00
6	A_g	1224	1173	0.00
7	A_g	937	898	0.00
8	A_g	600	575	0.00
9	A_u	3140	3007	21.43
10	A_u	1473	1411	12.41
11	A_u	1136	1088	0.54
12	A_u	293	280	6.49
13	A_u	166	159	2.47
14	B_g	3140	3007	0.00
15	B_g	1472	1410	0.00
16	B_g	1036	992	0.00
17	B_g	232	222	0.00
18	B_u	3153	3020	30.36
19	B_u	3049	2920	42.84
20	B_u	1476	1413	23.61
21	B_u	1407	1348	1.53
22	B_u	1136	1088	0.95
23	B_u	1054	1010	9.46
24	B_u	350	335	15.30

Atom	x (Å)	y (Å)	z (Å)
N1	0.370	0.493	0.000
N2	-0.370	-0.493	0.000
C3	-0.370	1.744	0.000
C4	0.370	-1.744	0.000
H5	-1.450	1.584	0.000
H6	1.450	-1.584	0.000
H7	-0.066	2.318	0.878
H8	-0.066	2.318	-0.878
H9	0.066	-2.318	0.878
H10	0.066	-2.318	-0.878

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2327	1.4534	2.2366	2.1225	2.3414	2.0718	2.0718	2.9605	2.9605
N2	1.2327		2.2366	1.4534	2.3414	2.1225	2.9605	2.9605	2.0718	2.0718
C3	1.4534	2.2366		3.5651	1.0919	3.7934	1.0923	1.0923	4.1784	4.1784
C4	2.2366	1.4534	3.5651		3.7934	1.0919	4.1784	4.1784	1.0923	1.0923
H5	2.1225	2.3414	1.0919	3.7934		4.2959	1.7957	1.7957	4.2778	4.2778
H6	2.3414	2.1225	3.7934	1.0919	4.2959		4.2778	4.2778	1.7957	1.7957
H7	2.0718	2.9605	1.0923	4.1784	1.7957	4.2778		1.7564	4.6378	4.9593
H8	2.0718	2.9605	1.0923	4.1784	1.7957	4.2778	1.7564		4.9593	4.6378
H9	2.9605	2.0718	4.1784	1.0923	4.2778	1.7957	4.6378	4.9593		1.7564
H10	2.9605	2.0718	4.1784	1.0923	4.2778	1.7957	4.9593	4.6378	1.7564

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	112.491	N1	C3	H5	112.221
N1	C3	H7	108.111	N1	C3	H8	108.111
N2	N1	C3	112.491	N2	C4	H6	112.221
N2	C4	H9	108.111	N2	C4	H10	108.111
H5	C3	H7	110.594	H5	C3	H8	110.594
H6	C4	H9	110.594	H6	C4	H10	110.594
H7	C3	H8	107.021	H9	C4	H10	107.021

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

using model chemistry: B1B95/6-31G(2df,p)

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	-0.124
2	N	-0.124
3	C	-0.300
4	C	-0.300
5	H	0.134
6	H	0.134
7	H	0.145
8	H	0.145
9	H	0.145
10	H	0.145

	x	y	z
x	4.749	-0.239	0.000
y	-0.239	8.212	0.000
z	0.000	0.000	4.249

<r²>	92.063
(<r²>)^1/2	9.595

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

using model chemistry: B1B95/6-31G(2df,p)

States and conformations

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