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	hartrees
Energy at 0K	-184.176729
Energy at 298.15K
HF Energy	-184.176729
Nuclear repulsion energy	86.376211

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	3287	3003	0.00	431.71	0.32	0.49
2	A_g	1994	1822	0.00	21.36	0.32	0.49
3	A_g	1222	1116	0.00	37.43	0.73	0.84
4	A_g	928	848	0.00	24.48	0.23	0.37
5	A_g	360	329	0.00	0.81	0.39	0.56
6	A_u	912	833	83.65	0.00	0.00	0.00
7	A_u	233	213	0.02	0.00	0.00	0.00
8	B_g	707	645	0.00	16.58	0.75	0.86
9	B_u	3284	3001	13.80	0.00	0.00	0.00
10	B_u	1685	1540	10.86	0.00	0.00	0.00
11	B_u	1173	1071	271.20	0.00	0.00	0.00
12	B_u	287	263	3.93	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.191	-0.642
C2	-0.191	0.642
N3	-0.191	-1.892
N4	0.191	1.892
H5	0.706	-2.511
H6	-0.706	2.511

	C1	C2	N3	N4	H5	H6
C1		1.3391	1.3071	2.5339	1.9392	3.2782
C2	1.3391		2.5339	1.3071	3.2782	1.9392
N3	1.3071	2.5339		3.8033	1.0897	4.4334
N4	2.5339	1.3071	3.8033		4.4334	1.0897
H5	1.9392	3.2782	1.0897	4.4334		5.2174
H6	3.2782	1.9392	4.4334	1.0897	5.2174

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	146.487		C1	N3	H5	107.668
C2	C1	N3	146.487		C2	N4	H6	107.668

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: PBEPBE/STO-3G

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	0.040
2	C	0.040
3	N	-0.230
4	N	-0.230
5	H	0.190
6	H	0.190

	x	y	z
x	1.555	-0.907	0.000
y	-0.907	8.289	0.000
z	0.000	0.000	0.816

<r²>	82.161
(<r²>)^1/2	9.064