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	hartrees
Energy at 0K	-186.824374
Energy at 298.15K
HF Energy	-186.824374
Nuclear repulsion energy	89.230515

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	3403	3281	0.00	675.39	0.34	0.51
2	A_g	2126	2050	0.00	44.72	0.37	0.54
3	A_g	1173	1131	0.00	32.05	0.73	0.84
4	A_g	938	904	0.00	50.03	0.18	0.31
5	A_g	342	330	0.00	7.73	0.25	0.40
6	A_u	955	921	138.41	0.00	0.00	0.00
7	A_u	256	247	0.00	0.00	0.00	0.00
8	B_g	706	680	0.00	6.57	0.75	0.86
9	B_u	3404	3282	8.51	0.00	0.00	0.00
10	B_u	1761	1698	196.26	0.00	0.00	0.00
11	B_u	1129	1089	382.41	0.00	0.00	0.00
12	B_u	278	268	7.96	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.274	-0.595
C2	-0.274	0.595
N3	0.274	-1.844
N4	-0.274	1.844
H5	1.221	-2.240
H6	-1.221	2.240

	C1	C2	N3	N4	H5	H6
C1		1.3099	1.2487	2.4994	1.8984	3.2050
C2	1.3099		2.4994	1.2487	3.2050	1.8984
N3	1.2487	2.4994		3.7279	1.0269	4.3488
N4	2.4994	1.2487	3.7279		4.3488	1.0269
H5	1.8984	3.2050	1.0269	4.3488		5.1025
H6	3.2050	1.8984	4.3488	1.0269	5.1025

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	155.311		C1	N3	H5	112.713
C2	C1	N3	155.311		C2	N4	H6	112.713

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: B3LYP/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	0.153
2	C	0.153
3	N	-0.439
4	N	-0.439
5	H	0.286
6	H	0.286

	x	y	z
x	4.486	-2.190	0.000
y	-2.190	11.323	0.000
z	0.000	0.000	3.047

<r²>	80.949
(<r²>)^1/2	8.997