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	hartrees
Energy at 0K	-186.666051
Energy at 298.15K
HF Energy	-186.441793
Nuclear repulsion energy	89.464182

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	3422	3268	0.00	664.92	0.31	0.48
2	A_g	2165	2068	0.00	18.22	0.37	0.54
3	A_g	1169	1116	0.00	26.57	0.68	0.81
4	A_g	933	891	0.00	36.01	0.25	0.40
5	A_g	297	284	0.00	2.23	0.33	0.50
6	A_u	966	923	120.55	0.00	0.00	0.00
7	A_u	259	247	0.15	0.00	0.00	0.00
8	B_g	681	650	0.00	7.13	0.75	0.86
9	B_u	3423	3269	7.34	0.00	0.33	0.49
10	B_u	1743	1664	117.58	0.00	0.00	0.00
11	B_u	1140	1088	388.88	0.00	0.00	0.00
12	B_u	289	276	5.25	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.232	-0.604
C2	-0.232	0.604
N3	0.232	-1.852
N4	-0.232	1.852
H5	1.180	-2.242
H6	-1.180	2.242

	C1	C2	N3	N4	H5	H6
C1		1.2949	1.2478	2.5001	1.8916	3.1769
C2	1.2949		2.5001	1.2478	3.1769	1.8916
N3	1.2478	2.5001		3.7334	1.0244	4.3304
N4	2.5001	1.2478	3.7334		4.3304	1.0244
H5	1.8916	3.1769	1.0244	4.3304		5.0661
H6	3.1769	1.8916	4.3304	1.0244	5.0661

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	158.991		C1	N3	H5	112.344
C2	C1	N3	158.991		C2	N4	H6	112.344

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: B2PLYP/6-31G(2df,p)

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	0.156
2	C	0.156
3	N	-0.430
4	N	-0.430
5	H	0.273
6	H	0.273

	x	y	z
x	3.767	-2.123	0.000
y	-2.123	10.202	0.000
z	0.000	0.000	2.515

<r²>	80.292
(<r²>)^1/2	8.961