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	hartrees
Energy at 0K	-186.747038
Energy at 298.15K
HF Energy	-186.747038
Nuclear repulsion energy	89.885901

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	3430	3285	0.00	684.16	0.31	0.47
2	A_g	2246	2151	0.00	24.41	0.37	0.54
3	A_g	1167	1118	0.00	22.48	0.70	0.82
4	A_g	952	911	0.00	38.46	0.27	0.42
5	A_g	288	276	0.00	2.18	0.46	0.63
6	A_u	975	933	122.90	0.00	0.00	0.00
7	A_u	261	250	0.27	0.00	0.00	0.00
8	B_g	674	646	0.00	6.70	0.75	0.86
9	B_u	3431	3286	6.82	0.00	0.00	0.00
10	B_u	1793	1717	160.35	0.00	0.00	0.00
11	B_u	1146	1097	354.26	0.00	0.00	0.00
12	B_u	294	281	6.47	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.201	-0.612
C2	-0.201	0.612
N3	0.201	-1.851
N4	-0.201	1.851
H5	1.147	-2.240
H6	-1.147	2.240

	C1	C2	N3	N4	H5	H6
C1		1.2877	1.2394	2.4955	1.8831	3.1540
C2	1.2877		2.4955	1.2394	3.1540	1.8831
N3	1.2394	2.4955		3.7241	1.0231	4.3073
N4	2.4955	1.2394	3.7241		4.3073	1.0231
H5	1.8831	3.1540	1.0231	4.3073		5.0329
H6	3.1540	1.8831	4.3073	1.0231	5.0329

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	161.848		C1	N3	H5	112.324
C2	C1	N3	161.848		C2	N4	H6	112.324

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: B1B95/6-31G(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	0.207
2	C	0.207
3	N	-0.481
4	N	-0.481
5	H	0.274
6	H	0.274

	x	y	z
x	3.650	-1.980	0.000
y	-1.980	10.188	0.000
z	0.000	0.000	2.513

<r²>	79.739
(<r²>)^1/2	8.930