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	hartrees
Energy at 0K	-186.659337
Energy at 298.15K
HF Energy	-186.659337
Nuclear repulsion energy	89.923547

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	3427	3427	0.00	716.37	0.30	0.46
2	A_g	2203	2203	0.00	25.76	0.42	0.59
3	A_g	1170	1170	0.00	29.02	0.48	0.65
4	A_g	947	947	0.00	51.51	0.15	0.27
5	A_g	309	309	0.00	2.81	0.55	0.71
6	A_u	967	967	120.19	0.00	0.00	0.00
7	A_u	255	255	0.01	0.00	0.00	0.00
8	B_g	674	674	0.00	3.37	0.75	0.86
9	B_u	3427	3427	15.67	0.00	0.00	0.00
10	B_u	1778	1778	193.89	0.00	0.00	0.00
11	B_u	1142	1142	359.83	0.00	0.00	0.00
12	B_u	286	286	6.66	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.218	-0.608
C2	-0.218	0.608
N3	0.218	-1.846
N4	-0.218	1.846
H5	1.160	-2.242
H6	-1.160	2.242

	C1	C2	N3	N4	H5	H6
C1		1.2909	1.2379	2.4915	1.8868	3.1654
C2	1.2909		2.4915	1.2379	3.1654	1.8868
N3	1.2379	2.4915		3.7166	1.0225	4.3137
N4	2.4915	1.2379	3.7166		4.3137	1.0225
H5	1.8868	3.1654	1.0225	4.3137		5.0491
H6	3.1654	1.8868	4.3137	1.0225	5.0491

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	160.294		C1	N3	H5	112.831
C2	C1	N3	160.294		C2	N4	H6	112.831

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: PBE1PBE/daug-cc-pVTZ

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	0.438
2	C	0.438
3	N	-0.774
4	N	-0.774
5	H	0.336
6	H	0.336

	x	y	z
x	4.832	-1.844	0.000
y	-1.844	11.506	0.000
z	0.000	0.000	3.762

<r²>	80.095
(<r²>)^1/2	8.950