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	hartrees
Energy at 0K	-185.523259
Energy at 298.15K
HF Energy	-185.383548
Nuclear repulsion energy	88.988186

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	3204	3204	0.00	985.96	0.32	0.48
2	A_g	2286	2286	0.00	0.84	0.69	0.82
3	A_g	1174	1174	0.00	46.32	0.72	0.84
4	A_g	925	925	0.00	27.27	0.29	0.45
5	A_g	390	390	0.00	4.74	0.65	0.79
6	A_u	990	990	146.83	0.00	0.00	0.00
7	A_u	298	298	0.09	0.00	0.00	0.00
8	B_g	843	843	0.00	2.54	0.75	0.86
9	B_u	3204	3204	25.31	0.00	0.32	0.48
10	B_u	1730	1730	77.14	0.00	0.00	0.00
11	B_u	1162	1162	490.99	0.00	0.00	0.00
12	B_u	305	305	41.56	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.007	-0.639
C2	-0.007	0.639
N3	-0.007	-1.892
N4	0.007	1.892
H5	0.923	-2.359
H6	-0.923	2.359

	C1	C2	N3	N4	H5	H6
C1		1.2779	1.2534	2.5311	1.9491	3.1393
C2	1.2779		2.5311	1.2534	3.1393	1.9491
N3	1.2534	2.5311		3.7845	1.0413	4.3491
N4	2.5311	1.2534	3.7845		4.3491	1.0413
H5	1.9491	3.1393	1.0413	4.3491		5.0671
H6	3.1393	1.9491	4.3491	1.0413	5.0671

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	178.683		C1	N3	H5	115.987
C2	C1	N3	178.683		C2	N4	H6	115.987

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: B2PLYP/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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Number	Element	Mulliken
1	C	0.400
2	C	0.400
3	N	-0.682
4	N	-0.682
5	H	0.281
6	H	0.281

	x	y	z
x	2.281	-1.132	0.000
y	-1.132	10.176	0.000
z	0.000	0.000	1.507

<r²>	81.854
(<r²>)^1/2	9.047