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	hartrees
Energy at 0K	-187.939554
Energy at 298.15K	-187.946878
HF Energy	-187.796332
Nuclear repulsion energy	117.544611

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3166	3014	0.00
2	A_g	3075	2928	0.00
3	A_g	1567	1491	0.00
4	A_g	1469	1398	0.00
5	A_g	1353	1288	0.00
6	A_g	1185	1128	0.00
7	A_g	852	811	0.00
8	A_g	578	550	0.00
9	A_u	3156	3004	27.34
10	A_u	1566	1491	15.67
11	A_u	1153	1098	0.02
12	A_u	279	266	7.94
13	A_u	159	151	3.33
14	B_g	3156	3004	0.00
15	B_g	1564	1489	0.00
16	B_g	1055	1004	0.00
17	B_g	213	203	0.00
18	B_u	3165	3013	25.15
19	B_u	3074	2926	28.97
20	B_u	1563	1488	22.13
21	B_u	1449	1380	4.94
22	B_u	1159	1103	0.40
23	B_u	936	891	1.79
24	B_u	339	323	16.02

Atom	x (Å)	y (Å)	z (Å)
N1	0.393	0.509	0.000
N2	-0.393	-0.509	0.000
C3	-0.393	1.793	0.000
C4	0.393	-1.793	0.000
H5	-1.468	1.597	0.000
H6	1.468	-1.597	0.000
H7	-0.099	2.359	0.887
H8	-0.099	2.359	-0.887
H9	0.099	-2.359	0.887
H10	0.099	-2.359	-0.887

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2864	1.5064	2.3021	2.1556	2.3635	2.1097	2.1097	3.0158	3.0158
N2	1.2864		2.3021	1.5064	2.3635	2.1556	3.0158	3.0158	2.1097	2.1097
C3	1.5064	2.3021		3.6719	1.0919	3.8671	1.0921	1.0921	4.2740	4.2740
C4	2.3021	1.5064	3.6719		3.8671	1.0919	4.2740	4.2740	1.0921	1.0921
H5	2.1556	2.3635	1.0919	3.8671		4.3372	1.7998	1.7998	4.3456	4.3456
H6	2.3635	2.1556	3.8671	1.0919	4.3372		4.3456	4.3456	1.7998	1.7998
H7	2.1097	3.0158	1.0921	4.2740	1.7998	4.3456		1.7737	4.7213	5.0435
H8	2.1097	3.0158	1.0921	4.2740	1.7998	4.3456	1.7737		5.0435	4.7213
H9	3.0158	2.1097	4.2740	1.0921	4.3456	1.7998	4.7213	5.0435		1.7737
H10	3.0158	2.1097	4.2740	1.0921	4.3456	1.7998	5.0435	4.7213	1.7737

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	110.789	N1	C3	H5	111.119
N1	C3	H7	107.494	N1	C3	H8	107.494
N2	N1	C3	110.789	N2	C4	H6	111.119
N2	C4	H9	107.494	N2	C4	H10	107.494
H5	C3	H7	110.995	H5	C3	H8	110.995
H6	C4	H9	110.995	H6	C4	H10	110.995
H7	C3	H8	108.595	H9	C4	H10	108.595

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

using model chemistry: B2PLYP=FULL/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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All results from a given calculation for CH3NNCH3 ((E)-1,2-Dimethyldiazene)

using model chemistry: B2PLYP=FULL/3-21G

States and conformations

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