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	hartrees
Energy at 0K	-186.746017
Energy at 298.15K
HF Energy	-186.746017
Nuclear repulsion energy	89.131988

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	3300	3253	0.00	836.88	0.32	0.48
2	A_g	2048	2019	0.00	25.34	0.35	0.52
3	A_g	1165	1149	0.00	27.65	0.74	0.85
4	A_g	912	899	0.00	33.20	0.24	0.38
5	A_g	323	319	0.00	4.74	0.36	0.53
6	A_u	938	924	121.20	0.00	0.00	0.00
7	A_u	246	243	0.10	0.00	0.00	0.00
8	B_g	693	683	0.00	9.19	0.75	0.86
9	B_u	3300	3253	2.53	0.00	0.32	0.48
10	B_u	1712	1687	126.91	0.00	0.00	0.00
11	B_u	1120	1104	395.38	0.00	0.00	0.00
12	B_u	279	275	6.78	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.293	-0.587
C2	-0.293	0.587
N3	0.293	-1.839
N4	-0.293	1.839
H5	1.247	-2.226
H6	-1.247	2.226

	C1	C2	N3	N4	H5	H6
C1		1.3130	1.2513	2.4961	1.8965	3.2078
C2	1.3130		2.4961	1.2513	3.2078	1.8965
N3	1.2513	2.4961		3.7240	1.0301	4.3472
N4	2.4961	1.2513	3.7240		4.3472	1.0301
H5	1.8965	3.2078	1.0301	4.3472		5.1039
H6	3.2078	1.8965	4.3472	1.0301	5.1039

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	153.494		C1	N3	H5	112.096
C2	C1	N3	153.494		C2	N4	H6	112.096

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: B97D3/6-311G**

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	0.121
2	C	0.121
3	N	-0.330
4	N	-0.330
5	H	0.209
6	H	0.209

	x	y	z
x	4.131	-2.415	0.000
y	-2.415	10.357	0.000
z	0.000	0.000	2.433

<r²>	80.367
(<r²>)^1/2	8.965