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	hartrees
Energy at 0K	-186.831386
Energy at 298.15K
HF Energy	-186.831386
Nuclear repulsion energy	89.391267

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	3362	3244	0.00	732.46	0.31	0.48
2	A_g	2139	2064	0.00	25.53	0.36	0.53
3	A_g	1172	1131	0.00	26.79	0.70	0.82
4	A_g	934	901	0.00	36.20	0.25	0.39
5	A_g	313	302	0.00	2.18	0.39	0.56
6	A_u	964	930	115.53	0.00	0.00	0.00
7	A_u	256	247	0.05	0.00	0.00	0.00
8	B_g	690	666	0.00	8.71	0.75	0.86
9	B_u	3362	3245	3.11	0.00	0.00	0.00
10	B_u	1749	1688	131.96	0.00	0.00	0.00
11	B_u	1139	1099	382.66	0.00	0.00	0.00
12	B_u	291	281	5.09	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.255	-0.598
C2	-0.255	0.598
N3	0.255	-1.846
N4	-0.255	1.846
H5	1.208	-2.234
H6	-1.208	2.234

	C1	C2	N3	N4	H5	H6
C1		1.3005	1.2481	2.4968	1.8926	3.1872
C2	1.3005		2.4968	1.2481	3.1872	1.8926
N3	1.2481	2.4968		3.7273	1.0280	4.3340
N4	2.4968	1.2481	3.7273		4.3340	1.0280
H5	1.8926	3.1872	1.0280	4.3340		5.0782
H6	3.1872	1.8926	4.3340	1.0280	5.0782

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	156.869		C1	N3	H5	112.144
C2	C1	N3	156.869		C2	N4	H6	112.144

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: TPSSh/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	0.201
2	C	0.201
3	N	-0.478
4	N	-0.478
5	H	0.277
6	H	0.277

	x	y	z
x	3.946	-2.269	0.000
y	-2.269	10.259	0.000
z	0.000	0.000	2.555

<r²>	80.095
(<r²>)^1/2	8.950