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	hartrees
Energy at 0K	-186.639472
Energy at 298.15K
HF Energy	-186.437564
Nuclear repulsion energy	89.029242

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	3451	3287	0.00	612.40	0.34	0.50
2	A_g	2079	1980	0.00	35.64	0.36	0.53
3	A_g	1173	1117	0.00	33.65	0.72	0.83
4	A_g	929	884	0.00	49.77	0.17	0.29
5	A_g	345	329	0.00	7.67	0.18	0.31
6	A_u	953	908	137.80	0.00	0.00	0.00
7	A_u	251	239	0.04	0.00	0.00	0.00
8	B_g	714	680	0.00	6.03	0.75	0.86
9	B_u	3452	3287	16.79	0.00	0.31	0.48
10	B_u	1739	1656	162.78	0.00	0.00	0.00
11	B_u	1122	1069	418.27	0.00	0.00	0.00
12	B_u	277	264	8.80	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.298	-0.587
C2	-0.298	0.587
N3	0.298	-1.841
N4	-0.298	1.841
H5	1.245	-2.232
H6	-1.245	2.232

	C1	C2	N3	N4	H5	H6
C1		1.3166	1.2535	2.4996	1.8977	3.2132
C2	1.3166		2.4996	1.2535	3.2132	1.8977
N3	1.2535	2.4996		3.7289	1.0244	4.3545
N4	2.4996	1.2535	3.7289		4.3545	1.0244
H5	1.8977	3.2132	1.0244	4.3545		5.1106
H6	3.2132	1.8977	4.3545	1.0244	5.1106

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	153.100		C1	N3	H5	112.451
C2	C1	N3	153.100		C2	N4	H6	112.451

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: B2PLYP/6-31+G**

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	0.127
2	C	0.127
3	N	-0.414
4	N	-0.414
5	H	0.287
6	H	0.287

	x	y	z
x	4.586	-2.247	0.000
y	-2.247	11.243	0.000
z	0.000	0.000	3.072

<r²>	81.107
(<r²>)^1/2	9.006