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	hartrees
Energy at 0K	-186.698555
Energy at 298.15K
HF Energy	-186.698555
Nuclear repulsion energy	88.793416

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	3309	3309	0.00	797.44	0.31	0.48
2	A_g	2031	2031	0.00	24.96	0.33	0.50
3	A_g	1169	1169	0.00	33.04	0.74	0.85
4	A_g	919	919	0.00	33.33	0.26	0.41
5	A_g	354	354	0.00	4.09	0.34	0.51
6	A_u	931	931	124.48	0.00	0.00	0.00
7	A_u	246	246	0.01	0.00	0.00	0.00
8	B_g	702	702	0.00	14.12	0.75	0.86
9	B_u	3309	3309	3.88	0.00	0.31	0.48
10	B_u	1723	1723	123.78	0.00	0.00	0.00
11	B_u	1116	1116	402.73	0.00	0.00	0.00
12	B_u	281	281	6.34	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.320	-0.579
C2	-0.320	0.579
N3	0.320	-1.836
N4	-0.320	1.836
H5	1.279	-2.218
H6	-1.279	2.218

	C1	C2	N3	N4	H5	H6
C1		1.3239	1.2570	2.4990	1.8984	3.2221
C2	1.3239		2.4990	1.2570	3.2221	1.8984
N3	1.2570	2.4990		3.7279	1.0321	4.3581
N4	2.4990	1.2570	3.7279		4.3581	1.0321
H5	1.8984	3.2221	1.0321	4.3581		5.1204
H6	3.2221	1.8984	4.3581	1.0321	5.1204

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	151.045		C1	N3	H5	111.688
C2	C1	N3	151.045		C2	N4	H6	111.688

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: B97D3/6-31G**

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	0.225
2	C	0.225
3	N	-0.494
4	N	-0.494
5	H	0.269
6	H	0.269

	x	y	z
x	4.037	-2.584	0.000
y	-2.584	10.064	0.000
z	0.000	0.000	2.075

<r²>	80.446
(<r²>)^1/2	8.969