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	hartrees
Energy at 0K	-32.188977
Energy at 298.15K
HF Energy	-32.188977
Nuclear repulsion energy	44.796373

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	3420	3303	0.00	569.50	0.33	0.49
2	A_g	1996	1927	0.00	49.59	0.36	0.53
3	A_g	1184	1144	0.00	34.21	0.74	0.85
4	A_g	909	878	0.00	40.59	0.22	0.36
5	A_g	391	378	0.00	8.26	0.37	0.54
6	A_u	923	891	134.99	0.00	0.00	0.00
7	A_u	244	236	0.38	0.00	0.00	0.00
8	B_g	737	712	0.00	13.98	0.75	0.86
9	B_u	3420	3303	11.94	0.00	0.00	0.00
10	B_u	1744	1684	219.91	0.00	0.00	0.00
11	B_u	1123	1084	477.21	0.00	0.00	0.00
12	B_u	279	269	11.95	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.190	-0.659
C2	-0.190	0.659
N3	-0.190	-1.864
N4	0.190	1.864
H5	0.617	-2.509
H6	-0.617	2.509

	C1	C2	N3	N4	H5	H6
C1		1.3712	1.2639	2.5230	1.8989	3.2689
C2	1.3712		2.5230	1.2639	3.2689	1.8989
N3	1.2639	2.5230		3.7477	1.0330	4.3940
N4	2.5230	1.2639	3.7477		4.3940	1.0330
H5	1.8989	3.2689	1.0330	4.3940		5.1675
H6	3.2689	1.8989	4.3940	1.0330	5.1675

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	146.433		C1	N3	H5	111.130
C2	C1	N3	146.433		C2	N4	H6	111.130

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: B3LYP/CEP-31G*

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	-0.306
2	C	-0.306
3	N	0.004
4	N	0.004
5	H	0.302
6	H	0.302

	x	y	z
x	3.639	-0.751	0.000
y	-0.751	11.406	0.000
z	0.000	0.000	2.601

<r²>	65.889
(<r²>)^1/2	8.117