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	hartrees
Energy at 0K	-188.162765
Energy at 298.15K	-188.170152
HF Energy	-188.162765
Nuclear repulsion energy	118.450990

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3166	3022	0.00
2	A_g	3068	2929	0.00
3	A_g	1562	1491	0.00
4	A_g	1494	1426	0.00
5	A_g	1415	1351	0.00
6	A_g	1198	1144	0.00
7	A_g	876	836	0.00
8	A_g	591	564	0.00
9	A_u	3153	3010	21.10
10	A_u	1544	1474	21.76
11	A_u	1148	1096	0.23
12	A_u	285	272	9.02
13	A_u	167	159	4.34
14	B_g	3153	3010	0.00
15	B_g	1542	1472	0.00
16	B_g	1049	1001	0.00
17	B_g	225	215	0.00
18	B_u	3165	3021	23.03
19	B_u	3067	2927	27.25
20	B_u	1544	1473	31.81
21	B_u	1437	1372	9.15
22	B_u	1157	1104	1.20
23	B_u	970	926	3.38
24	B_u	341	326	18.00

Atom	x (Å)	y (Å)	z (Å)
N1	0.386	0.504	0.000
N2	-0.386	-0.504	0.000
C3	-0.386	1.778	0.000
C4	0.386	-1.778	0.000
H5	-1.463	1.593	0.000
H6	1.463	-1.593	0.000
H7	-0.087	2.346	0.886
H8	-0.087	2.346	-0.886
H9	0.087	-2.346	0.886
H10	0.087	-2.346	-0.886

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2692	1.4904	2.2820	2.1466	2.3573	2.0982	2.0982	2.9989	2.9989
N2	1.2692		2.2820	1.4904	2.3573	2.1466	2.9989	2.9989	2.0982	2.0982
C3	1.4904	2.2820		3.6396	1.0931	3.8455	1.0936	1.0936	4.2447	4.2447
C4	2.2820	1.4904	3.6396		3.8455	1.0931	4.2447	4.2447	1.0936	1.0936
H5	2.1466	2.3573	1.0931	3.8455		4.3265	1.8015	1.8015	4.3249	4.3249
H6	2.3573	2.1466	3.8455	1.0931	4.3265		4.3249	4.3249	1.8015	1.8015
H7	2.0982	2.9989	1.0936	4.2447	1.8015	4.3249		1.7715	4.6950	5.0181
H8	2.0982	2.9989	1.0936	4.2447	1.8015	4.3249	1.7715		5.0181	4.6950
H9	2.9989	2.0982	4.2447	1.0936	4.3249	1.8015	4.6950	5.0181		1.7715
H10	2.9989	2.0982	4.2447	1.0936	4.3249	1.8015	5.0181	4.6950	1.7715

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	111.316	N1	C3	H5	111.453
N1	C3	H7	107.589	N1	C3	H8	107.589
N2	N1	C3	111.316	N2	C4	H6	111.453
N2	C4	H9	107.589	N2	C4	H10	107.589
H5	C3	H7	110.939	H5	C3	H8	110.939
H6	C4	H9	110.939	H6	C4	H10	110.939
H7	C3	H8	108.175	H9	C4	H10	108.175

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

using model chemistry: mPW1PW91/3-21G

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	-0.224
2	N	-0.224
3	C	-0.486
4	C	-0.486
5	H	0.228
6	H	0.228
7	H	0.241
8	H	0.241
9	H	0.241
10	H	0.241

	x	y	z
x	4.077	-0.182	0.000
y	-0.182	7.659	0.000
z	0.000	0.000	3.618

<r²>	94.693
(<r²>)^1/2	9.731

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

using model chemistry: mPW1PW91/3-21G

States and conformations

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