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	hartrees
Energy at 0K	-185.771083
Energy at 298.15K
HF Energy	-185.771083
Nuclear repulsion energy	89.223713

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	3166	3055	0.00	1046.72	0.32	0.48
2	A_g	2311	2230	0.00	2.29	0.64	0.78
3	A_g	1168	1127	0.00	43.19	0.73	0.84
4	A_g	940	907	0.00	29.48	0.30	0.46
5	A_g	462	446	0.00	4.64	0.66	0.79
6	A_u	985	950	146.44	0.00	0.00	0.00
7	A_u	306	295	0.08	0.00	0.00	0.00
8	B_g	869	838	0.00	3.20	0.75	0.86
9	B_u	3165	3054	36.63	0.00	0.00	0.00
10	B_u	1762	1700	101.62	0.00	0.00	0.00
11	B_u	1155	1114	473.35	0.00	0.00	0.00
12	B_u	314	303	40.26	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.006	-0.638
C2	-0.006	0.638
N3	-0.006	-1.886
N4	0.006	1.886
H5	0.929	-2.351
H6	-0.929	2.351

	C1	C2	N3	N4	H5	H6
C1		1.2764	1.2480	2.5243	1.9461	3.1323
C2	1.2764		2.5243	1.2480	3.1323	1.9461
N3	1.2480	2.5243		3.7722	1.0443	4.3369
N4	2.5243	1.2480	3.7722		4.3369	1.0443
H5	1.9461	3.1323	1.0443	4.3369		5.0565
H6	3.1323	1.9461	4.3369	1.0443	5.0565

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	178.932		C1	N3	H5	115.916
C2	C1	N3	178.932		C2	N4	H6	115.916

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: B3LYPultrafine/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	0.418
2	C	0.418
3	N	-0.696
4	N	-0.696
5	H	0.278
6	H	0.278

	x	y	z
x	2.315	-1.184	0.000
y	-1.184	10.250	0.000
z	0.000	0.000	1.522

<r²>	81.378
(<r²>)^1/2	9.021