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	hartrees
Energy at 0K	-189.180115
Energy at 298.15K	-189.187541
HF Energy	-188.932126
Nuclear repulsion energy	120.187666

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3136	3009	0.00
2	A_g	3044	2920	0.00
3	A_g	1630	1564	0.00
4	A_g	1484	1424	0.00
5	A_g	1416	1359	0.00
6	A_g	1218	1169	0.00
7	A_g	932	894	0.00
8	A_g	600	576	0.00
9	A_u	3126	2999	23.28
10	A_u	1489	1428	14.25
11	A_u	1145	1098	1.75
12	A_u	291	280	6.01
13	A_u	157	151	1.77
14	B_g	3126	2999	0.00
15	B_g	1488	1428	0.00
16	B_g	1048	1006	0.00
17	B_g	220	211	0.00
18	B_u	3136	3009	31.31
19	B_u	3043	2919	48.21
20	B_u	1492	1432	28.77
21	B_u	1420	1363	2.08
22	B_u	1145	1099	2.00
23	B_u	1031	989	7.59
24	B_u	354	340	14.94

Atom	x (Å)	y (Å)	z (Å)
N1	0.371	0.496	0.000
N2	-0.371	-0.496	0.000
C3	-0.371	1.755	0.000
C4	0.371	-1.755	0.000
H5	-1.448	1.593	0.000
H6	1.448	-1.593	0.000
H7	-0.067	2.324	0.878
H8	-0.067	2.324	-0.878
H9	0.067	-2.324	0.878
H10	0.067	-2.324	-0.878

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2390	1.4615	2.2516	2.1243	2.3507	2.0743	2.0743	2.9692	2.9692
N2	1.2390		2.2516	1.4615	2.3507	2.1243	2.9692	2.9692	2.0743	2.0743
C3	1.4615	2.2516		3.5883	1.0895	3.8108	1.0893	1.0893	4.1956	4.1956
C4	2.2516	1.4615	3.5883		3.8108	1.0895	4.1956	4.1956	1.0893	1.0893
H5	2.1243	2.3507	1.0895	3.8108		4.3061	1.7926	1.7926	4.2906	4.2906
H6	2.3507	2.1243	3.8108	1.0895	4.3061		4.2906	4.2906	1.7926	1.7926
H7	2.0743	2.9692	1.0893	4.1956	1.7926	4.2906		1.7559	4.6497	4.9702
H8	2.0743	2.9692	1.0893	4.1956	1.7926	4.2906	1.7559		4.9702	4.6497
H9	2.9692	2.0743	4.1956	1.0893	4.2906	1.7926	4.6497	4.9702		1.7559
H10	2.9692	2.0743	4.1956	1.0893	4.2906	1.7926	4.9702	4.6497	1.7559

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	112.715	N1	C3	H5	111.941
N1	C3	H7	107.931	N1	C3	H8	107.931
N2	N1	C3	112.715	N2	C4	H6	111.941
N2	C4	H9	107.931	N2	C4	H10	107.931
H5	C3	H7	110.727	H5	C3	H8	110.727
H6	C4	H9	110.727	H6	C4	H10	110.727
H7	C3	H8	107.412	H9	C4	H10	107.412

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

using model chemistry: B2PLYP/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	-0.097
2	N	-0.097
3	C	-0.182
4	C	-0.182
5	H	0.076
6	H	0.076
7	H	0.101
8	H	0.101
9	H	0.101
10	H	0.101

	x	y	z
x	5.473	-0.319	0.000
y	-0.319	8.784	0.000
z	0.000	0.000	4.706

<r²>	93.271
(<r²>)^1/2	9.658

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

using model chemistry: B2PLYP/cc-pVTZ

States and conformations

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