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	hartrees
Energy at 0K	-189.237251
Energy at 298.15K	-189.244694
HF Energy	-189.237251
Nuclear repulsion energy	120.480087

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3150	3007	0.00
2	A_g	3047	2909	0.00
3	A_g	1716	1638	0.00
4	A_g	1471	1405	0.00
5	A_g	1410	1346	0.00
6	A_g	1227	1172	0.00
7	A_g	939	897	0.00
8	A_g	602	575	0.00
9	A_u	3136	2994	20.96
10	A_u	1475	1408	13.23
11	A_u	1140	1088	0.42
12	A_u	294	280	6.72
13	A_u	165	157	2.48
14	B_g	3136	2994	0.00
15	B_g	1474	1407	0.00
16	B_g	1038	991	0.00
17	B_g	230	220	0.00
18	B_u	3149	3007	30.50
19	B_u	3046	2908	43.59
20	B_u	1478	1411	25.11
21	B_u	1412	1348	1.69
22	B_u	1140	1088	0.84
23	B_u	1053	1006	9.86
24	B_u	352	336	15.48

Atom	x (Å)	y (Å)	z (Å)
N1	0.370	0.494	0.000
N2	-0.370	-0.494	0.000
C3	-0.370	1.746	0.000
C4	0.370	-1.746	0.000
H5	-1.452	1.590	0.000
H6	1.452	-1.590	0.000
H7	-0.065	2.321	0.879
H8	-0.065	2.321	-0.879
H9	0.065	-2.321	0.879
H10	0.065	-2.321	-0.879

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2341	1.4550	2.2402	2.1266	2.3480	2.0741	2.0741	2.9649	2.9649
N2	1.2341		2.2402	1.4550	2.3480	2.1266	2.9649	2.9649	2.0741	2.0741
C3	1.4550	2.2402		3.5705	1.0935	3.8017	1.0938	1.0938	4.1844	4.1844
C4	2.2402	1.4550	3.5705		3.8017	1.0935	4.1844	4.1844	1.0938	1.0938
H5	2.1266	2.3480	1.0935	3.8017		4.3068	1.7979	1.7979	4.2864	4.2864
H6	2.3480	2.1266	3.8017	1.0935	4.3068		4.2864	4.2864	1.7979	1.7979
H7	2.0741	2.9649	1.0938	4.1844	1.7979	4.2864		1.7584	4.6444	4.9661
H8	2.0741	2.9649	1.0938	4.1844	1.7979	4.2864	1.7584		4.9661	4.6444
H9	2.9649	2.0741	4.1844	1.0938	4.2864	1.7979	4.6444	4.9661		1.7584
H10	2.9649	2.0741	4.1844	1.0938	4.2864	1.7979	4.9661	4.6444	1.7584

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	112.576	N1	C3	H5	112.345
N1	C3	H7	108.093	N1	C3	H8	108.093
N2	N1	C3	112.576	N2	C4	H6	112.345
N2	C4	H9	108.093	N2	C4	H10	108.093
H5	C3	H7	110.564	H5	C3	H8	110.564
H6	C4	H9	110.564	H6	C4	H10	110.564
H7	C3	H8	106.986	H9	C4	H10	106.986

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

using model chemistry: mPW1PW91/6-31G(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	-0.123
2	N	-0.123
3	C	-0.344
4	C	-0.344
5	H	0.147
6	H	0.147
7	H	0.160
8	H	0.160
9	H	0.160
10	H	0.160

	x	y	z
x	4.756	-0.235	0.000
y	-0.235	8.216	0.000
z	0.000	0.000	4.249

<r²>	92.291
(<r²>)^1/2	9.607

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

using model chemistry: mPW1PW91/6-31G(2df,p)

States and conformations

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