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	hartrees
Energy at 0K	-186.740618
Energy at 298.15K
HF Energy	-186.740618
Nuclear repulsion energy	89.847303

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A_g	3427	3264	0.00	684.80	0.31	0.47
2	A_g	2299	2189	0.00	24.52	0.37	0.54
3	A_g	1164	1109	0.00	20.78	0.69	0.81
4	A_g	956	911	0.00	39.83	0.27	0.43
5	A_g	274	261	0.00	2.82	0.53	0.69
6	A_u	975	929	129.11	0.00	0.00	0.00
7	A_u	258	246	0.33	0.00	0.00	0.00
8	B_g	664	632	0.00	5.49	0.75	0.86
9	B_u	3428	3265	16.37	0.00	0.00	0.00
10	B_u	1805	1719	180.51	0.00	0.00	0.00
11	B_u	1152	1097	321.28	0.00	0.00	0.00
12	B_u	295	281	9.99	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.162	-0.622
C2	-0.162	0.622
N3	0.162	-1.861
N4	-0.162	1.861
H5	1.113	-2.245
H6	-1.113	2.245

	C1	C2	N3	N4	H5	H6
C1		1.2852	1.2391	2.5037	1.8811	3.1377
C2	1.2852		2.5037	1.2391	3.1377	1.8811
N3	1.2391	2.5037		3.7358	1.0251	4.2994
N4	2.5037	1.2391	3.7358		4.2994	1.0251
H5	1.8811	3.1377	1.0251	4.2994		5.0115
H6	3.1377	1.8811	4.2994	1.0251	5.0115

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	165.357		C1	N3	H5	112.016
C2	C1	N3	165.357		C2	N4	H6	112.016

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: M06-2X/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	C	0.179
2	C	0.179
3	N	-0.462
4	N	-0.462
5	H	0.283
6	H	0.283

	x	y	z
x	3.526	-1.795	0.000
y	-1.795	10.181	0.000
z	0.000	0.000	2.508

<r²>	80.059
(<r²>)^1/2	8.948