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	hartrees
Energy at 0K	-186.764077
Energy at 298.15K
HF Energy	-186.764077
Nuclear repulsion energy	88.454270

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	3220	3194	0.00	841.32	0.32	0.48
2	A_g	2005	1989	0.00	21.60	0.36	0.53
3	A_g	1176	1167	0.00	39.64	0.73	0.84
4	A_g	911	903	0.00	33.32	0.26	0.42
5	A_g	355	352	0.00	3.49	0.34	0.51
6	A_u	926	919	120.08	0.00	0.00	0.00
7	A_u	247	245	0.00	0.00	0.00	0.00
8	B_g	696	691	0.00	15.18	0.75	0.86
9	B_u	3219	3193	13.32	0.00	0.32	0.00
10	B_u	1698	1684	110.21	0.00	0.00	0.00
11	B_u	1123	1113	396.06	0.00	0.00	0.00
12	B_u	278	276	6.15	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.319	-0.581
C2	-0.319	0.581
N3	0.319	-1.843
N4	-0.319	1.843
H5	1.283	-2.232
H6	-1.283	2.232

	C1	C2	N3	N4	H5	H6
C1		1.3253	1.2623	2.5066	1.9120	3.2371
C2	1.3253		2.5066	1.2623	3.2371	1.9120
N3	1.2623	2.5066		3.7412	1.0397	4.3787
N4	2.5066	1.2623	3.7412		4.3787	1.0397
H5	1.9120	3.2371	1.0397	4.3787		5.1490
H6	3.2371	1.9120	4.3787	1.0397	5.1490

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	151.233		C1	N3	H5	111.950
C2	C1	N3	151.233		C2	N4	H6	111.950

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: BLYP/6-31G*

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	0.219
2	C	0.219
3	N	-0.527
4	N	-0.527
5	H	0.308
6	H	0.308

	x	y	z
x	4.047	-2.650	0.000
y	-2.650	10.132	0.000
z	0.000	0.000	2.039

<r²>	81.042
(<r²>)^1/2	9.002